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5,5-bis(oxidanylidene)-6,11-dihydrobenzo[c][1,2]benzothiazepin-11-ol
SpectraBase Compound ID 5GGaXX7gmqH
InChI InChI=1S/C13H11NO3S/c15-13-9-5-1-3-7-11(9)14-18(16,17)12-8-4-2-6-10(12)13/h1-8,13-15H
InChIKey LNPOCVCYDOAQMQ-UHFFFAOYSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd14Irofbu8
Name 5,5-bis(oxidanylidene)-6,11-dihydrobenzo[c][1,2]benzothiazepin-11-ol
Alternate Name(s) 5,5-diketo-6,11-dihydrobenzo[c][1,2]benzothiazepin-11-ol 5,5-dioxo-6,11-dihydrobenzo[c][1,2]benzothiazepin-11-ol
Comments Less than 3 mono-isotopic peaks
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Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c15-13-9-5-1-3-7-11(9)14-18(16,17)12-8-4-2-6-10(12)13/h1-8,13-15H
InChIKey LNPOCVCYDOAQMQ-UHFFFAOYSA-N
Molecular Weight 261.295 g/mol
SMILES N1c2c(C(c3c(S1(=O)=O)cccc3)O)cccc2
SPLASH splash10-03di-0090000000-021fe3368c5e279eae30
Source of Spectrum SK-32-2882-6
Wiley ID 1548872