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2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole
SpectraBase Compound ID OWtR1mr2uQ
InChI InChI=1S/C21H15NS/c1-3-9-16(10-4-1)15-18(17-11-5-2-6-12-17)21-22-19-13-7-8-14-20(19)23-21/h1-15H/b18-15+
InChIKey XKMJBCWDOMPNEG-OBGWFSINSA-N
Mol Weight 313.42 g/mol
Molecular Formula C21H15NS
Exact Mass 313.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll3z2aTOOEv
Name 2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole
Alternate Name(s) 2-[(E)-1,2-diphenylvinyl]-1,3-benzothiazole
CAS Registry Number 77036-87-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NS
InChI InChI=1S/C21H15NS/c1-3-9-16(10-4-1)15-18(17-11-5-2-6-12-17)21-22-19-13-7-8-14-20(19)23-21/h1-15H/b18-15+
InChIKey XKMJBCWDOMPNEG-OBGWFSINSA-N
Molecular Weight 313.418 g/mol
SMILES c1(nc2ccccc2s1)\C(=C\c1ccccc1)c1ccccc1
SPLASH splash10-03di-0009000000-bf5517bd0cadb6694c21
Source of Spectrum K-117-1645-0
Wiley ID 1314459