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Pimelic acid, 4-methylcyclohexyl undecyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl undecyl ester isomer 1
SpectraBase Compound ID EKsqBObikkO
InChI InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-14-21-28-24(26)15-12-11-13-16-25(27)29-23-19-17-22(2)18-20-23/h22-23H,3-21H2,1-2H3
InChIKey YYPXIJSZWOLNFQ-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ibwf6JAAuNx
Name Pimelic acid, 4-methylcyclohexyl undecyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-14-21-28-24(26)15-12-11-13-16-25(27)29-23-19-17-22(2)18-20-23/h22-23H,3-21H2,1-2H3
InChIKey YYPXIJSZWOLNFQ-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-0007-9710000000-bfe0ce10409eb4d6b012
Source of Spectrum TIPS-2022-527-0
Wiley ID 1822044