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N-Phenyl-N'-[6-(4(5)-imidazolyl)hexyl]thiourea oxalate
SpectraBase Compound ID 7krO1XE5TSZ
InChI InChI=1S/C16H22N4S/c1-2-13(15-11-17-12-19-15)7-6-10-18-16(21)20-14-8-4-3-5-9-14/h3-5,8-9,11-13H,2,6-7,10H2,1H3,(H,17,19)(H2,18,20,21)
InChIKey CQJMOOWTICMBEW-UHFFFAOYSA-N
Mol Weight 302.44 g/mol
Molecular Formula C16H22N4S
Exact Mass 302.156518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0BzMPgHmka
Name N-Phenyl-N'-[6-(4(5)-imidazolyl)hexyl]thiourea oxalate
Alternate Name(s) N-[4-(1H-imidazol-5-yl)hexyl]-N'-phenylthiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N4S
InChI InChI=1S/C16H22N4S/c1-2-13(15-11-17-12-19-15)7-6-10-18-16(21)20-14-8-4-3-5-9-14/h3-5,8-9,11-13H,2,6-7,10H2,1H3,(H,17,19)(H2,18,20,21)
InChIKey CQJMOOWTICMBEW-UHFFFAOYSA-N
Molecular Weight 302.440 g/mol
SMILES N(C(=S)NCCCC(c1[nH]cnc1)CC)c1ccccc1
SPLASH splash10-000t-9300000000-c2b6113e35d0fa6163a8
Source of Spectrum E1-38-2249-6
Wiley ID 1598409