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(E)-7-azido-3-(phenylthio)-1,3-heptadiene
SpectraBase Compound ID gwtG9fmJPZ
InChI InChI=1S/C13H15N3S/c1-2-12(8-6-7-11-15-16-14)17-13-9-4-3-5-10-13/h2-5,8-10H,1,6-7,11H2/b12-8+
InChIKey AUQJJZJLSIXOEY-XYOKQWHBSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wxW1EXHdwn
Name (E)-7-azido-3-(phenylthio)-1,3-heptadiene
Alternate Name(s) (1E)-5-azido-1-vinyl-1-pentenyl phenyl sulfide {[(1E)-5-azido-1-vinyl-1-pentenyl]sulfanyl}benzene
CAS Registry Number 108782-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3S
InChI InChI=1S/C13H15N3S/c1-2-12(8-6-7-11-15-16-14)17-13-9-4-3-5-10-13/h2-5,8-10H,1,6-7,11H2/b12-8+
InChIKey AUQJJZJLSIXOEY-XYOKQWHBSA-N
Molecular Weight 245.344 g/mol
SMILES C(N=[N+]=[N-])CC\C=C/(Sc1ccccc1)C=C
SPLASH splash10-00ls-9600000000-6ac100b3c4eaafd475f3
Source of Spectrum J-54-5818-7
Wiley ID 1247935