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Ethyl 4-azido-3-[(2E)-3-methoxycarbonyl-6,7-dimethyl-2,6-octadienyl]benzoate
SpectraBase Compound ID I9UT2eeoHEU
InChI InChI=1S/C21H27N3O4/c1-6-28-21(26)18-11-12-19(23-24-22)17(13-18)10-9-16(20(25)27-5)8-7-15(4)14(2)3/h9,11-13H,6-8,10H2,1-5H3/b16-9+
InChIKey MZSCYNMQEBQETL-CXUHLZMHSA-N
Mol Weight 385.46 g/mol
Molecular Formula C21H27N3O4
Exact Mass 385.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJmAMBjqs6C
Name Ethyl 4-azido-3-[(2E)-3-methoxycarbonyl-6,7-dimethyl-2,6-octadienyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O4
InChI InChI=1S/C21H27N3O4/c1-6-28-21(26)18-11-12-19(23-24-22)17(13-18)10-9-16(20(25)27-5)8-7-15(4)14(2)3/h9,11-13H,6-8,10H2,1-5H3/b16-9+
InChIKey MZSCYNMQEBQETL-CXUHLZMHSA-N
Molecular Weight 385.464 g/mol
SMILES c1(N=[N+]=[N-])c(cc(C(=O)OCC)cc1)C\C=C\(C(=O)OC)CCC(=C(C)C)C
SPLASH splash10-003u-5492000000-b21711d00652a1848096
Source of Spectrum F-52-10623-32
Wiley ID 798190