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3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
SpectraBase Compound ID Gqr7ep2h89X
InChI InChI=1S/C11H10N2OS/c14-10-9-11(13-10)15-8(12-9)6-7-4-2-1-3-5-7/h1-5,9,11H,6H2,(H,13,14)
InChIKey XJMCFPFYTLBUQH-UHFFFAOYSA-N
Mol Weight 218.27 g/mol
Molecular Formula C11H10N2OS
Exact Mass 218.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pS7ziPDHCf
Name 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
CAS Registry Number 82189-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2OS
InChI InChI=1S/C11H10N2OS/c14-10-9-11(13-10)15-8(12-9)6-7-4-2-1-3-5-7/h1-5,9,11H,6H2,(H,13,14)
InChIKey XJMCFPFYTLBUQH-UHFFFAOYSA-N
Molecular Weight 218.274 g/mol
SMILES N1C2C(C1=O)N=C(S2)Cc1ccccc1
SPLASH splash10-00bc-8900000000-a932872dd21c79ec07a9
Synonyms 3-(Phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one 4-Thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one, 3-(phenylmethyl)-
Wiley ID 1485976