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cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl pentyl ester
SpectraBase Compound ID CY1E34NctFL
InChI InChI=1S/C25H44O4/c1-3-5-7-8-9-10-11-12-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-6-4-2/h14-15,22-23H,3-13,16-21H2,1-2H3
InChIKey ONZMEOKXUVCPLN-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1YP4V6klqS
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-3-5-7-8-9-10-11-12-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-6-4-2/h14-15,22-23H,3-13,16-21H2,1-2H3
InChIKey ONZMEOKXUVCPLN-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C1C(C(CC=C1)C(OCCCCC)=O)C(OCCCCCCCCCCCC)=O
SPLASH splash10-00fu-9810000000-115ddfef5b57131495f0
Source of Spectrum TIPS-2023-814-0
Wiley ID 1885520