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1-Ethynyl-1-isocyano-cyclohexane
SpectraBase Compound ID E8kJkKRbSYQ
InChI InChI=1S/C9H11N/c1-3-9(10-2)7-5-4-6-8-9/h1H,4-8H2
InChIKey ZNGBTEJUYMNXAB-UHFFFAOYSA-N
Mol Weight 133.19 g/mol
Molecular Formula C9H11N
Exact Mass 133.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGr1T6ajSGf
Name 1-ethynyl-1-isocyano-cyclohexane
CAS Registry Number 138313-44-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N
InChI InChI=1S/C9H11N/c1-3-9(10-2)7-5-4-6-8-9/h1H,4-8H2
InChIKey ZNGBTEJUYMNXAB-UHFFFAOYSA-N
Molecular Weight 133.194 g/mol
SMILES C1([N+]#[C-])(C#C)CCCCC1
SPLASH splash10-001i-0900000000-57732ad53d34b570ae55
Source of Spectrum K-125-527-5
Synonyms Cyclohexane, 1-ethynyl-1-isocyano-
Wiley ID 1134395