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Dothiepin sulfoxide
SpectraBase Compound ID 5f8QM7SPA0r
InChI InChI=1S/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
InChIKey NBNPVRZHUPMVQS-GZTJUZNOSA-N
Mol Weight 311.44 g/mol
Molecular Formula C19H21NOS
Exact Mass 311.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iI9s2vLVea
Name Dothiepin sulfoxide
CAS Registry Number 1447-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NOS
InChI InChI=1S/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
InChIKey NBNPVRZHUPMVQS-GZTJUZNOSA-N
Molecular Weight 311.443 g/mol
SMILES c12S(Cc3c(\C(c2cccc1)=C\CCN(C)C)cccc3)=O
SPLASH splash10-0a4i-9000000000-5442165014bd3d564831
Source of Spectrum JZ-1992-1617-0
Synonyms (3E)-N,N-dimethyl-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine 1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-, S-oxide
Wiley ID 1312542