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

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-(tert-butyl)cyclohexyl decyl ester isomer 1
SpectraBase Compound ID K4i9D2cwh8q
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-15-22-30-25(28)16-13-12-14-17-26(29)31-24-20-18-23(19-21-24)27(2,3)4/h23-24H,5-22H2,1-4H3
InChIKey BZEHCTOSGYRZPM-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrzvNeW2PGy
Name Pimelic acid, 4-(tert-butyl)cyclohexyl decyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-15-22-30-25(28)16-13-12-14-17-26(29)31-24-20-18-23(19-21-24)27(2,3)4/h23-24H,5-22H2,1-4H3
InChIKey BZEHCTOSGYRZPM-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCCCCCCCCCC)=O
SPLASH splash10-0536-9620000000-b8000bdb88a6b2567320
Source of Spectrum TIPS-2022-722-0
Wiley ID 1822239