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3-(6-chlorothiochroman-4-ylidene)carbazic acid, ethyl ester, S,S-dioxide

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(6-chlorothiochroman-4-ylidene)carbazic acid, ethyl ester, S,S-dioxide
SpectraBase Compound ID 4VDAw5PlNlT
InChI InChI=1S/C12H13ClN2O4S/c1-2-19-12(16)15-14-10-5-6-20(17,18)11-4-3-8(13)7-9(10)11/h3-4,7H,2,5-6H2,1H3,(H,15,16)/b14-10+
InChIKey OFFSWFCHJAKJQU-GXDHUFHOSA-N
Mol Weight 316.76 g/mol
Molecular Formula C12H13ClN2O4S
Exact Mass 316.028456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AK6yK4DHuSN
Name 3-(6-CHLOROTHIOCHROMAN-4-YLIDENE)CARBAZIC ACID, ETHYL ESTER, S,S-DIOXIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2O4S
InChI InChI=1S/C12H13ClN2O4S/c1-2-19-12(16)15-14-10-5-6-20(17,18)11-4-3-8(13)7-9(10)11/h3-4,7H,2,5-6H2,1H3,(H,15,16)/b14-10+
InChIKey OFFSWFCHJAKJQU-GXDHUFHOSA-N
Instrument Name BRUKER AC-300
Molecular Weight 316.77
Solvent DMSO-d6; Reference=TMS; Temperature 297K