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Cyclopropaneoctanoic acid, 2-[(2-pentylcyclopropyl)methyl]-, methyl ester
SpectraBase Compound ID BYQiIzQhqON
InChI InChI=1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3
InChIKey WSVAMWHCPDAWFM-UHFFFAOYSA-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 Fi7cd6bpAr0
Name Cyclopropaneoctanoic acid, 2-[(2-pentylcyclopropyl)methyl]-, methyl ester
CAS Registry Number 56687-67-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3
InChIKey WSVAMWHCPDAWFM-UHFFFAOYSA-N
Molecular Weight 322.533 g/mol
SMILES C(C1C(CCCCCCCC(OC)=O)C1)C1C(CCCCC)C1
SPLASH splash10-05o1-9300000000-075eab13075b9220aae2
Source of Spectrum EP-4710-0-0
Synonyms Methyl 8-(2-[(2-pentylcyclopropyl)methyl]cyclopropyl)octanoate Cyclopropaneoctanoic acid, 2-[(2-pentylcyclopropyl)methyl]-, methyl ester, trans,trans- 8-[2-[(2-amylcyclopropyl)methyl]cyclopropyl]caprylic acid methyl ester 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoic acid methyl ester
Wiley ID 1322117