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1-[(1S,2S)-2-phenylcyclopropyl]cycloheptanecarbonitrile
SpectraBase Compound ID 2lCPcfOkabC
InChI InChI=1S/C17H21N/c18-13-17(10-6-1-2-7-11-17)16-12-15(16)14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-12H2/t15-,16+/m1/s1
InChIKey UDYFKAOKTPKOGN-CVEARBPZSA-N
Mol Weight 239.36 g/mol
Molecular Formula C17H21N
Exact Mass 239.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxEvKCKU8RY
Name 1-[(1S,2S)-2-phenylcyclopropyl]cycloheptanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.167399680 u
Formula C17H21N
InChI InChI=1S/C17H21N/c18-13-17(10-6-1-2-7-11-17)16-12-15(16)14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-12H2/t15-,16+/m1/s1
InChIKey UDYFKAOKTPKOGN-CVEARBPZSA-N
Ionization Type EI
Molecular Weight 239.362 g/mol
Quality 219
Reported Formula C17H21N
SMILES C1([C@]2(C[C@@]2(C2=CC=CC=C2)[H])[H])(C#N)CCCCCC1
SPLASH splash10-014i-4900000000-10ab04aa31b2a277c936
Source of Spectrum CN111362832B
Wiley ID 1894806