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1-[(1S,2S)-2-(5-chloropent-1-ynyl)cyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID 7MrhsLSScDX
InChI InChI=1S/C15H20ClN/c16-10-6-1-3-7-13-11-14(13)15(12-17)8-4-2-5-9-15/h13-14H,1-2,4-6,8-11H2/t13-,14-/m0/s1
InChIKey GBDRUVITDWYAQS-KBPBESRZSA-N
Mol Weight 249.78 g/mol
Molecular Formula C15H20ClN
Exact Mass 249.128427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qlEszSDmTx
Name 1-[(1S,2S)-2-(5-chloropent-1-ynyl)cyclopropyl]cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20ClN
InChI InChI=1S/C15H20ClN/c16-10-6-1-3-7-13-11-14(13)15(12-17)8-4-2-5-9-15/h13-14H,1-2,4-6,8-11H2/t13-,14-/m0/s1
InChIKey GBDRUVITDWYAQS-KBPBESRZSA-N
Ionization Type EI
Molecular Weight 249.785 g/mol
Quality 218
Reported Formula C15H20NCl
SMILES C1([C@@]2([C@](C2)(C#CCCCCl)[H])[H])(CCCCC1)C#N
SPLASH splash10-0006-5910000000-8002dde5e49a11ee82d8
Source of Spectrum CN111362832B
Wiley ID 1894789