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1-(3-Chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)urea
SpectraBase Compound ID 3LBDi74HgYf
InChI InChI=1S/C16H17ClN2OS/c17-12-4-3-5-13(8-12)19-16(20)18-9-11-10-21-15-7-2-1-6-14(11)15/h3-5,8,10H,1-2,6-7,9H2,(H2,18,19,20)
InChIKey KPOMDRYNWRCSHQ-UHFFFAOYSA-N
Mol Weight 320.84 g/mol
Molecular Formula C16H17ClN2OS
Exact Mass 320.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3SnBb5mZjC
Name 1-(3-Chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)urea
Alternate Name(s) Urea, N-(3-chlorophenyl)-N'-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN2OS
InChI InChI=1S/C16H17ClN2OS/c17-12-4-3-5-13(8-12)19-16(20)18-9-11-10-21-15-7-2-1-6-14(11)15/h3-5,8,10H,1-2,6-7,9H2,(H2,18,19,20)
InChIKey KPOMDRYNWRCSHQ-UHFFFAOYSA-N
Molecular Weight 320.838 g/mol
SMILES N(Cc1csc2c1CCCC2)C(=O)Nc1cc(ccc1)Cl
SPLASH splash10-0udi-2900000000-6a95747418bf280c9c58
Source of Spectrum IY-2-4794-0
Wiley ID 1655923