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1-[(1R,2R)-2-hept-1-ynylcyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID BhhWJ91oEui
InChI InChI=1S/C17H25N/c1-2-3-4-5-7-10-15-13-16(15)17(14-18)11-8-6-9-12-17/h15-16H,2-6,8-9,11-13H2,1H3/t15-,16-/m1/s1
InChIKey DUNLJQLUARHLGQ-HZPDHXFCSA-N
Mol Weight 243.39 g/mol
Molecular Formula C17H25N
Exact Mass 243.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIERA9Mxw1r
Name 1-[(1R,2R)-2-hept-1-ynylcyclopropyl]cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N
InChI InChI=1S/C17H25N/c1-2-3-4-5-7-10-15-13-16(15)17(14-18)11-8-6-9-12-17/h15-16H,2-6,8-9,11-13H2,1H3/t15-,16-/m1/s1
InChIKey DUNLJQLUARHLGQ-HZPDHXFCSA-N
Ionization Type EI
Molecular Weight 243.394 g/mol
Quality 244
Reported Formula C17H25N
SMILES C1([C@]2([C@@](C2)(C#CCCCCC)[H])[H])(CCCCC1)C#N
SPLASH splash10-056u-9210000000-57714e3b3f41694c1c62
Source of Spectrum CN111362832B
Wiley ID 1894780