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8-[3-keto-2-[(E)-pent-2-enyl]cyclopenten-1-yl]caprylic acid
SpectraBase Compound ID JekOEysqIoN
InChI InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3+
InChIKey RHVWQVSLVMXMBR-XVNBXDOJSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPWBrnTxMRD
Name 8-[3-keto-2-[(E)-pent-2-enyl]cyclopenten-1-yl]caprylic acid
Alternate Name(s) 8-[3-oxidanylidene-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid 8-[3-Oxo-2-(pent-2-en-1-yl)cyclopent-1-enyl]octanoic acid 8-[3-oxo-2-[(E)-pent-2-enyl]-1-cyclopentenyl]octanoic acid 8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid
CAS Registry Number 93633-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3+
InChIKey RHVWQVSLVMXMBR-XVNBXDOJSA-N
Molecular Weight 292.419 g/mol
SMILES OC(CCCCCCCC1=C(C(CC1)=O)C\C=C\CC)=O
SPLASH splash10-002g-5930000000-5cf8c697aa1249d22048
Source of Spectrum KC-1988-1405-1
Wiley ID 1295742