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Pimelic acid, 4-(tert-butyl)cyclohexyl heptyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-(tert-butyl)cyclohexyl heptyl ester isomer 1
SpectraBase Compound ID edzmazSsH6
InChI InChI=1S/C24H44O4/c1-5-6-7-8-12-19-27-22(25)13-10-9-11-14-23(26)28-21-17-15-20(16-18-21)24(2,3)4/h20-21H,5-19H2,1-4H3
InChIKey WBDCMFUYFIMTOA-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIgrTZEaOoN
Name Pimelic acid, 4-(tert-butyl)cyclohexyl heptyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-5-6-7-8-12-19-27-22(25)13-10-9-11-14-23(26)28-21-17-15-20(16-18-21)24(2,3)4/h20-21H,5-19H2,1-4H3
InChIKey WBDCMFUYFIMTOA-UHFFFAOYSA-N
Molecular Weight 396.612 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCCCCCCC)=O
SPLASH splash10-052f-9530000000-1743564198b2a3eb578c
Source of Spectrum TIPS-2022-719-0
Wiley ID 1822236