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1-[(1S,2S)-2-hex-1-ynylcyclopropyl]cycloheptanecarbonitrile
SpectraBase Compound ID 2KSDROSrpiQ
InChI InChI=1S/C17H25N/c1-2-3-4-7-10-15-13-16(15)17(14-18)11-8-5-6-9-12-17/h15-16H,2-6,8-9,11-13H2,1H3/t15-,16-/m0/s1
InChIKey NTYYSEYFJAWHPF-HOTGVXAUSA-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 KNj9mcUBsGt
Name 1-[(1S,2S)-2-hex-1-ynylcyclopropyl]cycloheptanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N
InChI InChI=1S/C17H25N/c1-2-3-4-7-10-15-13-16(15)17(14-18)11-8-5-6-9-12-17/h15-16H,2-6,8-9,11-13H2,1H3/t15-,16-/m0/s1
InChIKey NTYYSEYFJAWHPF-HOTGVXAUSA-N
Ionization Type EI
Molecular Weight 243.394 g/mol
Quality 214
Reported Formula C17H25N
SMILES C1([C@@]2([C@](C2)(C#CCCCC)[H])[H])(C#N)CCCCCC1
SPLASH splash10-004l-9200000000-62dded0bedc3623f10fa
Source of Spectrum CN111362832B
Wiley ID 1894769