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Hexanoic acid, 4-(1-pyrrolidinylmethylene)-, methyl ester
SpectraBase Compound ID IBpuVq8Gwen
InChI InChI=1S/C12H21NO2/c1-3-11(6-7-12(14)15-2)10-13-8-4-5-9-13/h10H,3-9H2,1-2H3/b11-10+
InChIKey IJNTXKNAQUJOAL-ZHACJKMWSA-N
Mol Weight 211.3 g/mol
Molecular Formula C12H21NO2
Exact Mass 211.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIjmdTWiawF
Name Hexanoic acid, 4-(1-pyrrolidinylmethylene)-, methyl ester
Alternate Name(s) Methyl (4E)-4-ethyl-5-(1-pyrrolidinyl)-4-pentenoate (4E)-4-(1-pyrrolidinylmethylidene)hexanoic acid methyl ester (E)-4-ethyl-5-pyrrolidino-pent-4-enoic acid methyl ester Methyl (4E)-4-(pyrrolidin-1-ylmethylene)hexanoate Methyl (4E)-4-(pyrrolidin-1-ylmethylidene)hexanoate
CAS Registry Number 14091-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO2
InChI InChI=1S/C12H21NO2/c1-3-11(6-7-12(14)15-2)10-13-8-4-5-9-13/h10H,3-9H2,1-2H3/b11-10+
InChIKey IJNTXKNAQUJOAL-ZHACJKMWSA-N
Molecular Weight 211.305 g/mol
SMILES CC\C(CCC(=O)OC)=C/N1CCCC1
SPLASH splash10-000i-8900000000-66c2c1eed5ffaa3a355e
Source of Spectrum DC-0-10-14
Wiley ID 26316