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(E/Z)-3,4,5,6-Tetrahydro-2H-benzo[i][1,2]thiazecine 1,1-dioxide
SpectraBase Compound ID BuqMBf1Owvf
InChI InChI=1S/C12H15NO2S/c14-16(15)12-9-5-4-8-11(12)7-3-1-2-6-10-13-16/h3-5,7-9,13H,1-2,6,10H2
InChIKey ZFCYQGZCDPYXII-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GVvRaE74fd
Name (E/Z)-3,4,5,6-Tetrahydro-2H-benzo[i][1,2]thiazecine 1,1-dioxide
Appearance Brownish oil
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Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c14-16(15)12-9-5-4-8-11(12)7-3-1-2-6-10-13-16/h3-5,7-9,13H,1-2,6,10H2
InChIKey ZFCYQGZCDPYXII-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202267
Molecular Weight 237.317 g/mol
Quality 84
Reported Formula C12H15NO2S
SMILES N1S(C=2C=CC=CC2C=CCCCC1)(=O)=O
SPLASH splash10-0159-8900000000-4192eebf17778e117e42
Sample Comments E/Z = 9.7:1
Source of Spectrum QE-28-SM25-1j+1j' (DOI: 10.1002/chem.202202267)
Wiley ID 1902407