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2-Propenoic acid, 3-[(1-methylethyl)amino]-3-(2-pyridinyl)-, ethyl ester, (E)-
SpectraBase Compound ID BztNIUFdvYC
InChI InChI=1S/C13H18N2O2/c1-4-17-13(16)9-12(15-10(2)3)11-7-5-6-8-14-11/h5-10,15H,4H2,1-3H3/b12-9+
InChIKey DKYNTCQZBQMGHB-FMIVXFBMSA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsSYxZvaQNj
Name 2-Propenoic acid, 3-[(1-methylethyl)amino]-3-(2-pyridinyl)-, ethyl ester, (E)-
Alternate Name(s) Ethyl (2E)-3-(isopropylamino)-3-(2-pyridinyl)-2-propenoate Ethyl-3-isopropylamino-3-(2-pyridyl)-propenoate
CAS Registry Number 72764-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-4-17-13(16)9-12(15-10(2)3)11-7-5-6-8-14-11/h5-10,15H,4H2,1-3H3/b12-9+
InChIKey DKYNTCQZBQMGHB-FMIVXFBMSA-N
Molecular Weight 234.299 g/mol
SMILES N(\C(=C\C(=O)OCC)c1ncccc1)C(C)C
SPLASH splash10-0a4i-0910000000-254d44449b22b61cb87e
Source of Spectrum AC-1979-563-0
Wiley ID 1235963