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PERFRANGILIN-B
SpectraBase Compound ID U7CeexIjfF
InChI InChI=1S/C12H11NO3S2/c1-13-5-7-6(4-8(13)14)9(15)11(17-2)12(18-3)10(7)16/h4-5H,1-3H3
InChIKey YCRBNFTXGDZHPI-UHFFFAOYSA-N
Mol Weight 281.34 g/mol
Molecular Formula C12H11NO3S2
Exact Mass 281.018036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp7hGHsF9Cp
Name 2-Methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3S2
InChI InChI=1S/C12H11NO3S2/c1-13-5-7-6(4-8(13)14)9(15)11(17-2)12(18-3)10(7)16/h4-5H,1-3H3
InChIKey YCRBNFTXGDZHPI-UHFFFAOYSA-N
Molecular Weight 281.344 g/mol
SMILES C=12C(C(=O)C(=C(C2=O)SC)SC)=CC(N(C1)C)=O
SPLASH splash10-014i-3090000000-b063daf821a019e53449
Source of Spectrum B-46-213-0
Synonyms 2-Methyl-6,7-bis(methylthio)isoquinoline-3,5,8-trione Perfragilin B
Wiley ID 1284653