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3-Methyl-2-phenyl-1-azulenecarbonitrile

View entire compound with spectra: 1 MS (GC)

3-Methyl-2-phenyl-1-azulenecarbonitrile
SpectraBase Compound ID 1ZmmrQOM0lV
InChI InChI=1S/C18H13N/c1-13-15-10-6-3-7-11-16(15)17(12-19)18(13)14-8-4-2-5-9-14/h2-11H,1H3
InChIKey QXCYLDMDZOWEND-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C18H13N
Exact Mass 243.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EYZ5CwblYY
Name 3-Methyl-2-phenyl-1-azulenecarbonitrile
CAS Registry Number 116263-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N
InChI InChI=1S/C18H13N/c1-13-15-10-6-3-7-11-16(15)17(12-19)18(13)14-8-4-2-5-9-14/h2-11H,1H3
InChIKey QXCYLDMDZOWEND-UHFFFAOYSA-N
Molecular Weight 243.309 g/mol
SMILES c1(c(c(C)c2c1ccccc2)-c1ccccc1)C#N
SPLASH splash10-0006-0190000000-d08009d35f246b3e2b81
Source of Spectrum K-122-74-15
Wiley ID 1246327