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(3-cyan-1-phenyl-2,5-hexadienyl)-ethyl-carbonate
SpectraBase Compound ID DTNX1DbQfw3
InChI InChI=1S/C16H17NO3/c1-3-8-13(12-17)11-15(20-16(18)19-4-2)14-9-6-5-7-10-14/h3,5-7,9-11,15H,1,4,8H2,2H3/b13-11-
InChIKey IFEHWPGKGRGLAX-QBFSEMIESA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qi6OqEtE6S
Name (3-cyan-1-phenyl-2,5-hexadienyl)-ethyl-carbonate
Alternate Name(s) (2Z)-3-cyano-1-phenyl-2,5-hexadienyl ethyl carbonate (30cyan-1-phenyl-2,5-hexadienyl)-ethyl-carbonat
CAS Registry Number 100573-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-3-8-13(12-17)11-15(20-16(18)19-4-2)14-9-6-5-7-10-14/h3,5-7,9-11,15H,1,4,8H2,2H3/b13-11-
InChIKey IFEHWPGKGRGLAX-QBFSEMIESA-N
Molecular Weight 271.316 g/mol
SMILES C(OC(\C=C/(C#N)CC=C)c1ccccc1)(=O)OCC
SPLASH splash10-0006-9100000000-c22cc14dbc6574744de5
Source of Spectrum K-119-1794-59
Wiley ID 1275343