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Dimethyl (Z)-2-ethoxycarbonyl-3-[(Z)-9-heptadecylidene]butanedioate
SpectraBase Compound ID 6ZrrhhVRXdw
InChI InChI=1S/C26H44O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24(27)30-3)23(25(28)31-4)26(29)32-6-2/h12-13,21,23H,5-11,14-20H2,1-4H3/b13-12-,22-21-
InChIKey PFUGLUMMCXQJGL-OADPXDAPSA-N
Mol Weight 452.6 g/mol
Molecular Formula C26H44O6
Exact Mass 452.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKHGUjfDGW8
Name Dimethyl (Z)-2-ethoxycarbonyl-3-[(Z)-9-heptadecylidene]butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O6
InChI InChI=1S/C26H44O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24(27)30-3)23(25(28)31-4)26(29)32-6-2/h12-13,21,23H,5-11,14-20H2,1-4H3/b13-12-,22-21-
InChIKey PFUGLUMMCXQJGL-OADPXDAPSA-N
Molecular Weight 452.632 g/mol
SMILES C(\C(C(=O)OC)=C\CCCCCCC\C=C/CCCCCCC)(C(=O)OC)C(=O)OCC
SPLASH splash10-0a4i-9000300000-6f08e452839478cbbf1c
Source of Spectrum AJ-68-1683-5c
Wiley ID 773232