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2-Propenoic acid, 2-azido-3-[2-bromo-4-methoxy-5-(phenylmethoxy)phenyl]-, methyl ester
SpectraBase Compound ID JtdqNOpRouE
InChI InChI=1S/C18H16BrN3O4/c1-24-16-10-14(19)13(8-15(21-22-20)18(23)25-2)9-17(16)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8-
InChIKey BPLVONHWNCMABC-NVNXTCNLSA-N
Mol Weight 418.25 g/mol
Molecular Formula C18H16BrN3O4
Exact Mass 417.032419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jOfgsZM75j
Name 2-Propenoic acid, 2-azido-3-[2-bromo-4-methoxy-5-(phenylmethoxy)phenyl]-, methyl ester
CAS Registry Number 112014-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrN3O4
InChI InChI=1S/C18H16BrN3O4/c1-24-16-10-14(19)13(8-15(21-22-20)18(23)25-2)9-17(16)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8-
InChIKey BPLVONHWNCMABC-NVNXTCNLSA-N
Molecular Weight 418.247 g/mol
SMILES c1(\C=C\(C(=O)OC)N=[N+]=[N-])c(cc(c(c1)OCc1ccccc1)OC)Br
SPLASH splash10-0006-9011000000-1fd816117a6fd8c1160e
Source of Spectrum KC-1987-932-5
Synonyms Methyl (2Z)-2-azido-3-[5-(benzyloxy)-2-bromo-4-methoxyphenyl]-2-propenoate Methyl 2-azido-3-(5-benzyloxy-2-bromo-4-methoxyphenyl)-propenoate
Wiley ID 1376769