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Pimelic acid, 2-(tert-butyl)cyclohexyl dodecyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 2-(tert-butyl)cyclohexyl dodecyl ester isomer 1
SpectraBase Compound ID 9hPclAqAlMQ
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-19-24-32-27(30)22-15-14-16-23-28(31)33-26-21-18-17-20-25(26)29(2,3)4/h25-26H,5-24H2,1-4H3
InChIKey VPJHNXUSLYUDMT-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr9NCU27lxM
Name Pimelic acid, 2-(tert-butyl)cyclohexyl dodecyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-19-24-32-27(30)22-15-14-16-23-28(31)33-26-21-18-17-20-25(26)29(2,3)4/h25-26H,5-24H2,1-4H3
InChIKey VPJHNXUSLYUDMT-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-06r6-9602000000-2df23e008bb261d7a077
Source of Spectrum TIPS-2022-680-0
Wiley ID 1822197