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N-(4-Chlorobenzyl)-N'-[5-(4(5)-imidazolyl)pentyl]thiourea oxalate
SpectraBase Compound ID 2ENtdhJ0s7m
InChI InChI=1S/C16H21ClN4S/c1-12(15-10-18-11-21-15)3-2-8-19-16(22)20-9-13-4-6-14(17)7-5-13/h4-7,10-12H,2-3,8-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKey FDPKSIFTGPXXFM-UHFFFAOYSA-N
Mol Weight 336.88 g/mol
Molecular Formula C16H21ClN4S
Exact Mass 336.117546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E146nqhYNWV
Name N-(4-Chlorobenzyl)-N'-[5-(4(5)-imidazolyl)pentyl]thiourea oxalate
Alternate Name(s) N-(4-chlorobenzyl)-N'-[4-(1H-imidazol-5-yl)pentyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClN4S
InChI InChI=1S/C16H21ClN4S/c1-12(15-10-18-11-21-15)3-2-8-19-16(22)20-9-13-4-6-14(17)7-5-13/h4-7,10-12H,2-3,8-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKey FDPKSIFTGPXXFM-UHFFFAOYSA-N
Molecular Weight 336.885 g/mol
SMILES N(C(=S)NCCCC(c1[nH]cnc1)C)Cc1ccc(cc1)Cl
SPLASH splash10-004i-0900000000-31dedc5e4992e1996603
Source of Spectrum E1-38-2249-5
Wiley ID 1598411