Oxybenzone(131-57-7) IR1
Product NameOxybenzone
CAS131-57-7
Molecular FormulaC14H12O3
Molecular Weight228.24
InChIInChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKey DXGLGDHPHMLXJC-UHFFFAOYSA-N
SmilesC(C1=CC=C(OC)C=C1O)(C1=CC=CC=C1)=O
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Assign. Shift(ppm)
A 12.68 B 7.75 to 7.29 C 6.51 D 6.403 E 3.845Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
199.89 167 1 166.38 311 2 * 166.27 328 3 * 138.31 289 4 135.21 417 5 # 131.42 417 6 # 128.85 1000 7 128.27 983 8 113.17 394 9 107.25 528 10 101.23 533 11 55.53 583 12Spectral 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
