For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(R)-1-(1-Cyclopropylethyl)-3-phenylthiourea
SpectraBase Compound ID 2VGs8MqtTEU
InChI InChI=1S/C12H16N2S/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKey NVEYSWCLKJTDDC-SECBINFHSA-N
Mol Weight 220.33 g/mol
Molecular Formula C12H16N2S
Exact Mass 220.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1QD7j1M2aCx
Name (R)-1-(1-Cyclopropylethyl)-3-phenylthiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2S
InChI InChI=1S/C12H16N2S/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKey NVEYSWCLKJTDDC-SECBINFHSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.160
Molecular Weight 220.334 g/mol
Optical Rotation [a]20D = -29.5 (c = 1.01, CHCl3)
Reported Formula C12H16N2S
SMILES N(c1ccccc1)C(N[C@@](C1CC1)(C)[H])=S
SPLASH splash10-0006-2920000000-c599f35020b82d7b81fe
Source of Spectrum BJO-8-SM6-(R)-9d
Thin-Layer Chromatography Rf = 0.18 (n-Hex/EtOAc, 5:1)
Wiley ID 1864971