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Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-(3-oxooctyl)-, methyl ester
SpectraBase Compound ID 4Hk5yqFxGP3
InChI InChI=1S/C21H34O7/c1-5-6-7-8-16(24)9-10-17-18(11-12-21(25)26-4)20(28-15(3)23)13-19(17)27-14(2)22/h17-20H,5-13H2,1-4H3
InChIKey ZPIIVVAZWYXXFT-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H34O7
Exact Mass 398.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3x9zbcxIKu
Name Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-(3-oxooctyl)-, methyl ester
CAS Registry Number 55493-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O7
InChI InChI=1S/C21H34O7/c1-5-6-7-8-16(24)9-10-17-18(11-12-21(25)26-4)20(28-15(3)23)13-19(17)27-14(2)22/h17-20H,5-13H2,1-4H3
InChIKey ZPIIVVAZWYXXFT-UHFFFAOYSA-N
Molecular Weight 398.496 g/mol
SMILES C1(C(C(CCC(=O)OC)C(C1)OC(=O)C)CCC(=O)CCCCC)OC(=O)C
SPLASH splash10-004j-2490000000-39146419aec638c0e63a
Source of Spectrum W-19-544-9
Synonyms Methyl 3-(2-(3-oxooctyl)-3.alpha.,5.alpha.-diacetoxycyclopentyl)propanoate Methyl 3-[3,5-bis(acetyloxy)-2-(3-oxooctyl)cyclopentyl]propanoate 3-[3,5-diacetyloxy-2-(3-oxooctyl)cyclopentyl]propanoic acid methyl ester Methyl 3-[3,5-diacetyloxy-2-(3-oxooctyl)cyclopentyl]propanoate Methyl 3-[3,5-diacetoxy-2-(3-oxooctyl)cyclopentyl]propanoate Methyl 3-[3,5-diacetyloxy-2-(3-oxidanylideneoctyl)cyclopentyl]propanoate
Wiley ID 1368374