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7,9-Dimethoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carbaldehyde

View entire compound with spectra: 1 MS (GC)

7,9-Dimethoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carbaldehyde
SpectraBase Compound ID 1ZjZnIoCFn8
InChI InChI=1S/C12H15NO3S/c1-15-10-5-9-7-13(8-14)3-4-17-12(9)11(6-10)16-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey QDNHRNLAUBTJRB-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YxRT6Zpyyx
Name 7,9-Dimethoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carbaldehyde
Alternate Name(s) 7,9-Dimethoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-15-10-5-9-7-13(8-14)3-4-17-12(9)11(6-10)16-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey QDNHRNLAUBTJRB-UHFFFAOYSA-N
Molecular Weight 253.316 g/mol
SMILES c12c(c(OC)cc(c2)OC)SCCN(C1)C=O
SPLASH splash10-0udi-0690000000-55f2e2c33fd7f696887a
Source of Spectrum E2-46-927-20
Wiley ID 1554502