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1-cyclopropyl-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]thiourea
SpectraBase Compound ID F7J65VoYLDk
InChI InChI=1S/C14H26N2S/c1-9(2)12-7-4-10(3)8-13(12)16-14(17)15-11-5-6-11/h9-13H,4-8H2,1-3H3,(H2,15,16,17)/t10-,12+,13+/m1/s1
InChIKey CQXNVOYEYMCLQO-WXHSDQCUSA-N
Mol Weight 254.44 g/mol
Molecular Formula C14H26N2S
Exact Mass 254.18167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aQm1Uc10k1
Name 1-cyclopropyl-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26N2S
InChI InChI=1S/C14H26N2S/c1-9(2)12-7-4-10(3)8-13(12)16-14(17)15-11-5-6-11/h9-13H,4-8H2,1-3H3,(H2,15,16,17)/t10-,12+,13+/m1/s1
InChIKey CQXNVOYEYMCLQO-WXHSDQCUSA-N
Ionization Type EI
Molecular Weight 254.436 g/mol
SMILES N(C1CC1)C(=S)N[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-0a4i-9110000000-6db812884fd53d3e202d
Source of Spectrum EP2135516B1
Wiley ID 1844999