alpha-Phenylcyclopentaneacetic acid(3900-93-4) IR1
Product Namealpha-Phenylcyclopentaneacetic acid
CAS3900-93-4
Molecular FormulaC13H16O2
Molecular Weight204.27
InChIInChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
InChIKey BCJIDGDYYYBNNB-UHFFFAOYSA-N
SmilesC(C(=O)O)(C1CCCC1)C1C=CC=CC=1
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Assign. Shift(ppm)
A 12. B 7.335 C 7.300 D 7.253 E 3.263 F 2.540 G *1 1.944 J *2 1.65 K *2 1.58 L *2 1.27 M *1 1.294 N *1 0.981 ASSIGNED BY C-H COSYSpectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
180.68 306 1 138.47 489 2 128.57 946 3 * 128.43 1000 4 * 127.44 414 5 57.89 446 6 43.13 446 7 31.59 382 8 # 30.72 387 9 # 25.19 398 10 *1 24.85 435 11 *1Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder