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2-(2'-Hydroxyhexyl)benzoic acid
SpectraBase Compound ID 8xV80HLM493
InChI InChI=1S/C13H18O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8,11,14H,2-3,7,9H2,1H3,(H,15,16)
InChIKey FMLCBYCMBFOMOT-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItaYQTFEim2
Name 2-(2'-Hydroxyhexyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8,11,14H,2-3,7,9H2,1H3,(H,15,16)
InChIKey FMLCBYCMBFOMOT-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(Cc1c(C(=O)O)cccc1)CCCC
SPLASH splash10-014m-3910000000-2daa8cced96c55055ccb
Source of Spectrum Y1-42-1525-4
Synonyms 2-(2'-Oxohexyl)benzoic acid 2-(2-hydroxyhexyl)benzoic acid
Wiley ID 1565204