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2-Propenoic acid, 3-[6-(azidomethyl)-1,3-benzodioxol-5-yl]-, ethyl ester, (E)-
SpectraBase Compound ID 4Dx2kiiCccY
InChI InChI=1S/C13H13N3O4/c1-2-18-13(17)4-3-9-5-11-12(20-8-19-11)6-10(9)7-15-16-14/h3-6H,2,7-8H2,1H3/b4-3+
InChIKey LZFYUXFPEDUDIM-ONEGZZNKSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19r9sO7kqA8
Name 2-Propenoic acid, 3-[6-(azidomethyl)-1,3-benzodioxol-5-yl]-, ethyl ester, (E)-
Alternate Name(s) Ethyl (2E)-3-[6-(azidomethyl)-1,3-benzodioxol-5-yl]-2-propenoate Ethyl (E)-[4,5-(methylenedioxy)-2-(azidomethyl)-phenyl]-2-propenoate
CAS Registry Number 100606-46-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-2-18-13(17)4-3-9-5-11-12(20-8-19-11)6-10(9)7-15-16-14/h3-6H,2,7-8H2,1H3/b4-3+
InChIKey LZFYUXFPEDUDIM-ONEGZZNKSA-N
Molecular Weight 275.264 g/mol
SMILES C(N=[N+]=[N-])c1c(\C=C\C(=O)OCC)cc2c(c1)OCO2
SPLASH splash10-03k9-0910000000-2986e609022b44ead8ff
Source of Spectrum J-51-1122-5
Wiley ID 1278963