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1-[(1R,2R)-2-(3-phenoxyprop-1-ynyl)cyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID JVqpJqc3YuX
InChI InChI=1S/C19H21NO/c20-15-19(11-5-2-6-12-19)18-14-16(18)8-7-13-21-17-9-3-1-4-10-17/h1,3-4,9-10,16,18H,2,5-6,11-14H2/t16-,18-/m1/s1
InChIKey ZHLQHHVXLFSAME-SJLPKXTDSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yrVWqMHdS
Name 1-[(1R,2R)-2-(3-phenoxyprop-1-ynyl)cyclopropyl]cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.162314299 u
Formula C19H21NO
InChI InChI=1S/C19H21NO/c20-15-19(11-5-2-6-12-19)18-14-16(18)8-7-13-21-17-9-3-1-4-10-17/h1,3-4,9-10,16,18H,2,5-6,11-14H2/t16-,18-/m1/s1
InChIKey ZHLQHHVXLFSAME-SJLPKXTDSA-N
Ionization Type EI
Quality 337
Reported Formula C19H21NO
SMILES C1([C@]2([C@@](C2)(C#CCOC2=CC=CC=C2)[H])[H])(CCCCC1)C#N
SPLASH splash10-05vo-6910000000-9526dea9f9f1f5037528
Source of Spectrum CN111362832B
Wiley ID 1894790