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Heptacosanyl-5-hydroxypentadec-2-enoate

View entire compound with spectra: 1 MS (GC)

Heptacosanyl-5-hydroxypentadec-2-enoate
SpectraBase Compound ID JNt3WFEdA2U
InChI InChI=1S/C42H82O3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-40-45-42(44)39-36-38-41(43)37-34-32-30-12-10-8-6-4-2/h36,39,41,43H,3-35,37-38,40H2,1-2H3/b39-36+
InChIKey ZSBAFQNVKMZCMZ-WQBMDMGNSA-N
Mol Weight 635.1 g/mol
Molecular Formula C42H82O3
Exact Mass 634.626396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92a1mBN26FV
Name Heptacosanyl-5-hydroxypentadec-2-enoate
Alternate Name(s) (E)-heptacosyl 5-hydroxypentadec-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H82O3
InChI InChI=1S/C42H82O3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-40-45-42(44)39-36-38-41(43)37-34-32-30-12-10-8-6-4-2/h36,39,41,43H,3-35,37-38,40H2,1-2H3/b39-36+
InChIKey ZSBAFQNVKMZCMZ-WQBMDMGNSA-N
Molecular Weight 635.115 g/mol
SMILES OC(C\C=C\C(OCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCC
SPLASH splash10-0a4i-9251100000-8fbf63efab27cec38e0d
Source of Spectrum Y1-44B-2373-1
Wiley ID 1744338