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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl nonyl ester
SpectraBase Compound ID 9BV9ihA4lEK
InChI InChI=1S/C25H44O4/c1-6-7-8-9-10-11-14-17-28-23(26)21-15-12-13-16-22(21)24(27)29-19-20(2)18-25(3,4)5/h12-13,20-22H,6-11,14-19H2,1-5H3
InChIKey VUVAMZJPGFFBKB-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 4EoV9O954S
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2,4,4-trimethylpentyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-6-7-8-9-10-11-14-17-28-23(26)21-15-12-13-16-22(21)24(27)29-19-20(2)18-25(3,4)5/h12-13,20-22H,6-11,14-19H2,1-5H3
InChIKey VUVAMZJPGFFBKB-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C1C(C(CC=C1)C(OCCCCCCCCC)=O)C(OCC(CC(C)(C)C)C)=O
SPLASH splash10-0kmi-9510000000-9bca680da2b4abeca3bc
Source of Spectrum TIPS-2023-890-0
Wiley ID 1885596