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(E)-7-((1S,2S)-2-Octyl-cyclopentyl)-hept-5-enoic acid methyl ester
SpectraBase Compound ID Aw6eMm1l1Ci
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-10-14-19-16-13-17-20(19)15-11-8-9-12-18-21(22)23-2/h8,11,19-20H,3-7,9-10,12-18H2,1-2H3/b11-8+/t19-,20+/m0/s1
InChIKey SYSNFXNPZMGAHE-RHYMJRRZSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3K4YiSO6rfK
Name (E)-7-((1S,2S)-2-Octyl-cyclopentyl)-hept-5-enoic acid methyl ester
Alternate Name(s) 2-Octyl-1-[6'-(methoxycarbonyl)hex-2'-en-1'-yl]cyclopentane Methyl 8-isoprost-5-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-10-14-19-16-13-17-20(19)15-11-8-9-12-18-21(22)23-2/h8,11,19-20H,3-7,9-10,12-18H2,1-2H3/b11-8+/t19-,20+/m0/s1
InChIKey SYSNFXNPZMGAHE-RHYMJRRZSA-N
Molecular Weight 322.533 g/mol
SMILES C(=O)(OC)CCC\C=C\C[C@]1([C@](CCC1)(CCCCCCCC)[H])[H]
SPLASH splash10-00dl-5296000000-bca676b61bb1104f8c6f
Source of Spectrum E1-34-555-15
Wiley ID 1710375