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2-Butenedioic acid, 2-(2-butenyl)-3-(dimethylamino)-, dimethyl ester, (E,E)-
SpectraBase Compound ID JfhHbyozKQM
InChI InChI=1S/C12H19NO4/c1-6-7-8-9(11(14)16-4)10(13(2)3)12(15)17-5/h6-7H,8H2,1-5H3/b7-6+,10-9+
InChIKey QWIQRRMMBOPCGA-AVQMFFATSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O4uI0DrHwA
Name 2-Butenedioic acid, 2-(2-butenyl)-3-(dimethylamino)-, dimethyl ester, (E,E)-
CAS Registry Number 118509-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-6-7-8-9(11(14)16-4)10(13(2)3)12(15)17-5/h6-7H,8H2,1-5H3/b7-6+,10-9+
InChIKey QWIQRRMMBOPCGA-AVQMFFATSA-N
Molecular Weight 241.287 g/mol
SMILES C(\C(=C/(C(=O)OC)C\C=C\C)N(C)C)(=O)OC
SPLASH splash10-0089-0930000000-c1f2b716ea2bf56b9593
Source of Spectrum I-66-1693-2
Synonyms 1-Diamino-1,2-diacetoxy-5-methylpenta-1,4-diene Dimethyl (2E)-2-[(2E)-2-butenyl]-3-(dimethylamino)-2-butenedioate
Wiley ID 1244006