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5-(1,3-dithian-2-yl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid ethyl ester
SpectraBase Compound ID 4FvO7JwLIYg
InChI InChI=1S/C19H27NO4S2/c1-4-24-19(21)20-9-8-14(18-25-10-5-11-26-18)16-13(12-20)6-7-15(22-2)17(16)23-3/h6-7,14,18H,4-5,8-12H2,1-3H3
InChIKey GAXSRZLSVMHQRD-UHFFFAOYSA-N
Mol Weight 397.55 g/mol
Molecular Formula C19H27NO4S2
Exact Mass 397.138151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AzpzL7Zxp8
Name 5-(1,3-dithian-2-yl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-(1,3-dithian-2-yl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CAS Registry Number 87783-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO4S2
InChI InChI=1S/C19H27NO4S2/c1-4-24-19(21)20-9-8-14(18-25-10-5-11-26-18)16-13(12-20)6-7-15(22-2)17(16)23-3/h6-7,14,18H,4-5,8-12H2,1-3H3
InChIKey GAXSRZLSVMHQRD-UHFFFAOYSA-N
Molecular Weight 397.548 g/mol
SMILES C(N1Cc2c(c(OC)c(cc2)OC)C(CC1)C1SCCCS1)(=O)OCC
SPLASH splash10-014i-0900000000-1a769e41c6ba7c907594
Source of Spectrum J-49-161-0
Wiley ID 1367904