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TRANS-CROCIN-DIMETHYLESTER
SpectraBase Compound ID 2vSlaGB7PZ9
InChI InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11+,18-12+,19-15+,20-16+
InChIKey OXNHRKGZZFWUQZ-QORFUXSJSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8bvVdM4ObX
Name (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid dimethyl ester
CAS Registry Number 5892-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11+,18-12+,19-15+,20-16+
InChIKey OXNHRKGZZFWUQZ-QORFUXSJSA-N
Molecular Weight 356.462 g/mol
SMILES C(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)OC)C)C)C)C)(=O)OC
SPLASH splash10-0a4i-0159000000-e3846db2a4e2b2dacb84
Source of Spectrum K-110-3603-0
Synonyms Dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate trans-Crocetin, dimethyl ester
Wiley ID 1346037