5-Benzyloxyindole-2-carboxylic acid(6640-09-1) IR2
Product Name5-Benzyloxyindole-2-carboxylic acid
CAS6640-09-1
Molecular FormulaC16H13NO3
Molecular Weight267.28
InChIInChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
InChIKey MVCLSAMNMAWXFQ-UHFFFAOYSA-N
SmilesN1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1C(O)=O
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MassMS-IW-5898 5-benzyloxy-2-indolecarboxylic acid C16H13NO3 (Mass of molecular ion: 267)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 2.0 39.0 1.3 51.0 1.5 65.0 6.1 75.0 1.0 76.0 1.2 89.0 1.0 91.0 100.0 92.0 8.9 102.0 3.6 130.0 5.3 131.0 1.1 132.0 1.3 158.0 18.2 159.0 2.9 176.0 11.9 177.0 1.7 249.0 1.6 267.0 31.3 268.0 5.7
KBr disc
nujol mull
