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2-Butenoic acid, 4-[2-[(2,2-dimethyl-2H-azirin-3-yl)methylamino]phenoxy]-, ethyl ester, (Z)-
SpectraBase Compound ID H2nXz8s32ti
InChI InChI=1S/C17H22N2O3/c1-5-21-15(20)11-8-12-22-14-10-7-6-9-13(14)19(4)16-17(2,3)18-16/h6-11H,5,12H2,1-4H3/b11-8-
InChIKey UPRPNYPLVDWNGL-FLIBITNWSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiPTxDnFx9C
Name 2-Butenoic acid, 4-[2-[(2,2-dimethyl-2H-azirin-3-yl)methylamino]phenoxy]-, ethyl ester, (Z)-
CAS Registry Number 85937-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-5-21-15(20)11-8-12-22-14-10-7-6-9-13(14)19(4)16-17(2,3)18-16/h6-11H,5,12H2,1-4H3/b11-8-
InChIKey UPRPNYPLVDWNGL-FLIBITNWSA-N
Molecular Weight 302.374 g/mol
SMILES C1(=NC1(C)C)N(c1c(OC\C=C/C(=O)OCC)cccc1)C
SPLASH splash10-007c-9300000000-3bb823b098abdc9cab12
Source of Spectrum H-66-285-0
Synonyms (Z)-3-(N-(2'-(3''-ethoxycarbonyl-allyloxy)phenyl)-N-methylamino)-2,2-dimethyl-2H-azirine (Z)-3-(N-(2'-(3''-Ethoxycarbonyl-allyloxy)phenyl)-N-methylamino)-2,2-dimethyl-2H-azirine 2H-azirine, 2-butenoic acid deriv. Ethyl (2Z)-4-{2-[(2,2-dimethyl-2H-azirin-3-yl)(methyl)amino]phenoxy}-2-butenoate
Wiley ID 1304711