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12-(3-octyloxiran-2-yl)dodecanoic acid
SpectraBase Compound ID 8DO0VU0lqJj
InChI InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)
InChIKey NSYDMBURIUSUDH-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C22H42O3
Exact Mass 354.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45qbADfd3Y
Name 12-(3-octyloxiran-2-yl)dodecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)
InChIKey NSYDMBURIUSUDH-UHFFFAOYSA-N
Instrument Name Agilent model 7890A-7200 Q-TOF
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202201275
Molecular Weight 354.575 g/mol
SMILES OC(CCCCCCCCCCCC1C(CCCCCCCC)O1)=O
SPLASH splash10-0abc-9300000000-b7039708390aa4c6a2f2
Source of Spectrum CSC-15-SM28-Figure S23
Wiley ID 1880681