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(E)-7-((1S,2S)-2-Octyl-cyclopentyl)-hept-5-enoic acid
SpectraBase Compound ID 93PKbB1jwtz
InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h7,10,18-19H,2-6,8-9,11-17H2,1H3,(H,21,22)/b10-7+/t18-,19+/m0/s1
InChIKey WVWZUDXGVSAHSL-CECVADTLSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Zj8JRyU3Yz
Name (E)-7-((1S,2S)-2-Octyl-cyclopentyl)-hept-5-enoic acid
Alternate Name(s) 2-Octyl-1-[6'-(hydroxycarbonyl)hex-2'-en-1'-yl]cyclopentane 8-Isoprost-5-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h7,10,18-19H,2-6,8-9,11-17H2,1H3,(H,21,22)/b10-7+/t18-,19+/m0/s1
InChIKey WVWZUDXGVSAHSL-CECVADTLSA-N
Molecular Weight 308.506 g/mol
SMILES OC(=O)CCC\C=C\C[C@]1([C@](CCC1)(CCCCCCCC)[H])[H]
SPLASH splash10-0a4i-0928000000-934a80ff2240358ba364
Source of Spectrum E1-34-555-14
Wiley ID 1710376