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HKTWRGLIRIBFJB-UHFFFAOYSA-N
SpectraBase Compound ID JSIX13DJyA5
InChI InChI=1S/C12H11ClN2O2S/c1-15-9-6-5(12(15)18-2)3-4-14-8(6)7(13)10(16)11(9)17/h14H,3-4H2,1-2H3
InChIKey HKTWRGLIRIBFJB-UHFFFAOYSA-N
Mol Weight 282.74 g/mol
Molecular Formula C12H11ClN2O2S
Exact Mass 282.022976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfEUAUUMJZE
Name Batzelline A
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN2O2S
InChI InChI=1S/C12H11ClN2O2S/c1-15-9-6-5(12(15)18-2)3-4-14-8(6)7(13)10(16)11(9)17/h14H,3-4H2,1-2H3
InChIKey HKTWRGLIRIBFJB-UHFFFAOYSA-N
Molecular Weight 282.745 g/mol
SMILES N1CCc2c([n](c3c2C1=C(C(C3=O)=O)Cl)C)SC
SPLASH splash10-001r-9000000000-e2093c33a3af02c8fe30
Source of Spectrum U1-1999-1181-1
Wiley ID 752837