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1-ethyl-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]thiourea
SpectraBase Compound ID 9PZIkPBO09Q
InChI InChI=1S/C13H26N2S/c1-5-14-13(16)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H2,14,15,16)/t10-,11+,12+/m1/s1
InChIKey GVOQFOIMJOEHQO-WOPDTQHZSA-N
Mol Weight 242.42 g/mol
Molecular Formula C13H26N2S
Exact Mass 242.18167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtVcEZySTXt
Name 1-ethyl-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26N2S
InChI InChI=1S/C13H26N2S/c1-5-14-13(16)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H2,14,15,16)/t10-,11+,12+/m1/s1
InChIKey GVOQFOIMJOEHQO-WOPDTQHZSA-N
Ionization Type EI
Molecular Weight 242.425 g/mol
SMILES N(CC)C(=S)N[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-0a4l-6910000000-1423f60429cf22b1def0
Source of Spectrum EP2135516B1
Wiley ID 1844997