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2-Propenoic acid, 3-[2-(azidomethyl)-4-chlorophenyl]-, ethyl ester, (E)-
SpectraBase Compound ID KKZB2xAPbml
InChI InChI=1S/C12H12ClN3O2/c1-2-18-12(17)6-4-9-3-5-11(13)7-10(9)8-15-16-14/h3-7H,2,8H2,1H3/b6-4+
InChIKey PTRHWECAJQOVEW-GQCTYLIASA-N
Mol Weight 265.7 g/mol
Molecular Formula C12H12ClN3O2
Exact Mass 265.061804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CMU6HPynx9
Name 2-Propenoic acid, 3-[2-(azidomethyl)-4-chlorophenyl]-, ethyl ester, (E)-
CAS Registry Number 100606-45-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O2
InChI InChI=1S/C12H12ClN3O2/c1-2-18-12(17)6-4-9-3-5-11(13)7-10(9)8-15-16-14/h3-7H,2,8H2,1H3/b6-4+
InChIKey PTRHWECAJQOVEW-GQCTYLIASA-N
Molecular Weight 265.700 g/mol
SMILES C(N=[N+]=[N-])c1c(\C=C\C(=O)OCC)ccc(c1)Cl
SPLASH splash10-03di-0910000000-fe6d72e6c4a4918345e9
Source of Spectrum J-51-1122-5
Synonyms Ethyl (2E)-3-[2-(azidomethyl)-4-chlorophenyl]-2-propenoate Ethyl (E)-3-[4-chloro-2-(azidomethyl)phenyl]-2-propenoate
Wiley ID 1268774