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2-(m-pentadecylphenoxy)butyric acid

View entire compound with spectra: 2 MS (GC)

2-(m-pentadecylphenoxy)butyric acid
SpectraBase Compound ID GNgUPrJmr6C
InChI InChI=1S/C25H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3,(H,26,27)
InChIKey MTBHDSNPUORPTN-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7t6c8AbkxI
Name 2-(m-pentadecylphenoxy)butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3,(H,26,27)
InChIKey MTBHDSNPUORPTN-UHFFFAOYSA-N
Molecular Weight 390.608 g/mol
SMILES OC(C(CC)Oc1cc(ccc1)CCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-1904000000-c3246b3f6cd813612d3e
Source of Spectrum JX-2015-6-13323
Synonyms 2-(3-pentadecylphenoxy)butanoic acid
Wiley ID 1731441