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Pimelic acid, 4-methylcyclohexyl dodecyl ester isomer 1
SpectraBase Compound ID 4oc0TLhpe3A
InChI InChI=1S/C26H48O4/c1-3-4-5-6-7-8-9-10-11-15-22-29-25(27)16-13-12-14-17-26(28)30-24-20-18-23(2)19-21-24/h23-24H,3-22H2,1-2H3
InChIKey UQMPOQHSZVTPSK-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Z1mQuUhwye
Name Pimelic acid, 4-methylcyclohexyl dodecyl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-3-4-5-6-7-8-9-10-11-15-22-29-25(27)16-13-12-14-17-26(28)30-24-20-18-23(2)19-21-24/h23-24H,3-22H2,1-2H3
InChIKey UQMPOQHSZVTPSK-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0006-9701000000-2bbfd675b9ffe8ff762d
Source of Spectrum TIPS-2022-512-0
Wiley ID 1822029