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Pimelic acid, 4-methylcyclohexyl isobutyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl isobutyl ester isomer 1
SpectraBase Compound ID 7nsW0CCvmQF
InChI InChI=1S/C18H32O4/c1-14(2)13-21-17(19)7-5-4-6-8-18(20)22-16-11-9-15(3)10-12-16/h14-16H,4-13H2,1-3H3
InChIKey ZBBQCKWXNVMMPG-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FSxX42Clt8
Name Pimelic acid, 4-methylcyclohexyl isobutyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-14(2)13-21-17(19)7-5-4-6-8-18(20)22-16-11-9-15(3)10-12-16/h14-16H,4-13H2,1-3H3
InChIKey ZBBQCKWXNVMMPG-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCC(C)C)=O
SPLASH splash10-052g-8900000000-ebac14c25564b6629304
Source of Spectrum TIPS-2022-519-0
Wiley ID 1822036