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N-Tosyl-2,3,4,12b-tetrahydro-7-hydroxy-10,11-dimethoxy-1H[1]benzopyrano[4,3,2-ef][3]benzazepine
SpectraBase Compound ID H18251JQAg3
InChI InChI=1S/C25H25NO6S/c1-15-4-7-17(8-5-15)33(28,29)26-11-10-16-6-9-20(27)25-24(16)19(14-26)18-12-22(30-2)23(31-3)13-21(18)32-25/h4-9,12-13,19,27H,10-11,14H2,1-3H3
InChIKey IIAWIVIGYFDWKO-UHFFFAOYSA-N
Mol Weight 467.54 g/mol
Molecular Formula C25H25NO6S
Exact Mass 467.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ck7b72h9V1
Name N-Tosyl-2,3,4,12b-tetrahydro-7-hydroxy-10,11-dimethoxy-1H[1]benzopyrano[4,3,2-ef][3]benzazepine
Alternate Name(s) 10,11-dimethoxy-2-[(4-methylphenyl)sulfonyl]-2,3,4,12b-tetrahydro-1H-xantheno[9,1-cd]azepin-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO6S
InChI InChI=1S/C25H25NO6S/c1-15-4-7-17(8-5-15)33(28,29)26-11-10-16-6-9-20(27)25-24(16)19(14-26)18-12-22(30-2)23(31-3)13-21(18)32-25/h4-9,12-13,19,27H,10-11,14H2,1-3H3
InChIKey IIAWIVIGYFDWKO-UHFFFAOYSA-N
Molecular Weight 467.536 g/mol
SMILES Oc1c2c3C(CN(S(c4ccc(cc4)C)(=O)=O)CCc3cc1)c1c(cc(c(c1)OC)OC)O2
SPLASH splash10-03di-0039000000-4aaad0f886d54263689b
Source of Spectrum J-61-5821-15
Wiley ID 1392171