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(E)-3-amino-2-cyano-3-methoxy-acrylic acid benzyl ester
SpectraBase Compound ID 2gagduHHNX0
InChI InChI=1S/C12H12N2O3/c1-16-11(14)10(7-13)12(15)17-8-9-5-3-2-4-6-9/h2-6H,8,14H2,1H3/b11-10+
InChIKey HZTNAQYZZKTQGX-ZHACJKMWSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I285Y9ThXHE
Name (E)-3-amino-2-cyano-3-methoxy-2-propenoic acid (phenylmethyl) ester
Alternate Name(s) (E)-3-amino-2-cyano-3-methoxy-acrylic acid benzyl ester (phenylmethyl) (E)-3-azanyl-2-cyano-3-methoxy-prop-2-enoate benzyl (E)-3-amino-2-cyano-3-methoxy-prop-2-enoate
CAS Registry Number 114907-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-16-11(14)10(7-13)12(15)17-8-9-5-3-2-4-6-9/h2-6H,8,14H2,1H3/b11-10+
InChIKey HZTNAQYZZKTQGX-ZHACJKMWSA-N
Molecular Weight 232.239 g/mol
SMILES N\C(=C/(C(OCc1ccccc1)=O)C#N)OC
SPLASH splash10-0006-9010000000-e290a1be3e61fe480ef0
Source of Spectrum K-121-1821-3
Wiley ID 1233609