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9 / 10 -[3'-(Hydroxycarbonyl)-1'-(oxopropyl)]octadecanoic acid

View entire compound with spectra: 1 MS (GC)

9 / 10 -[3'-(Hydroxycarbonyl)-1'-(oxopropyl)]octadecanoic acid
SpectraBase Compound ID FFlOzjQQqP1
InChI InChI=1S/C22H40O5/c1-2-3-4-5-8-11-14-19(20(23)17-18-22(26)27)15-12-9-6-7-10-13-16-21(24)25/h19H,2-18H2,1H3,(H,24,25)(H,26,27)
InChIKey QDIGOEWPXYJPTQ-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C22H40O5
Exact Mass 384.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mz9oKosMen
Name 9 / 10 -[3'-(Hydroxycarbonyl)-1'-(oxopropyl)]octadecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O5
InChI InChI=1S/C22H40O5/c1-2-3-4-5-8-11-14-19(20(23)17-18-22(26)27)15-12-9-6-7-10-13-16-21(24)25/h19H,2-18H2,1H3,(H,24,25)(H,26,27)
InChIKey QDIGOEWPXYJPTQ-UHFFFAOYSA-N
Molecular Weight 384.557 g/mol
SMILES OC(CCCCCCCCC(C(CCC(=O)O)=O)CCCCCCCC)=O
SPLASH splash10-0uk9-4920000000-43f31b63e713f5a89bed
Source of Spectrum U-1993-649-15
Wiley ID 764951