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Benzeneacetic acid, .alpha.-(octadecyloxy)-, methyl ester, (.+-.)-
SpectraBase Compound ID B0G7CElLMVV
InChI InChI=1S/C27H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-30-26(27(28)29-2)25-22-19-18-20-23-25/h18-20,22-23,26H,3-17,21,24H2,1-2H3
InChIKey SQCXGWCYOXFTOK-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmRHKIQ4tpU
Name Benzeneacetic acid, .alpha.-(octadecyloxy)-, methyl ester, (.+-.)-
CAS Registry Number 87515-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-30-26(27(28)29-2)25-22-19-18-20-23-25/h18-20,22-23,26H,3-17,21,24H2,1-2H3
InChIKey SQCXGWCYOXFTOK-UHFFFAOYSA-N
Molecular Weight 418.662 g/mol
SMILES C(C(c1ccccc1)OCCCCCCCCCCCCCCCCCC)(=O)OC
SPLASH splash10-052f-9005000000-71550fbbd76b0d551e99
Source of Spectrum F-39-2214-0
Synonyms (R,S)-methyl-2-(1-octadecycloxy)-2-phenylacetate Methyl (octadecyloxy)(phenyl)acetate
Wiley ID 1377453