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2-[2-(1,3-benzodioxol-5-yl)-2,3-Dihydro-1,5-benzothiazepin-4-yl]phenol
SpectraBase Compound ID BYYKzAZofeu
InChI InChI=1S/C22H17NO3S/c24-18-7-3-1-5-15(18)17-12-22(27-21-8-4-2-6-16(21)23-17)14-9-10-19-20(11-14)26-13-25-19/h1-11,22,24H,12-13H2
InChIKey WXVQTZUWIVVJBM-UHFFFAOYSA-N
Mol Weight 375.44 g/mol
Molecular Formula C22H17NO3S
Exact Mass 375.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51tNRu1oIFr
Name 2-[2-(1,3-benzodioxol-5-yl)-2,3-Dihydro-1,5-benzothiazepin-4-yl]phenol
Alternate Name(s) 2-(2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO3S
InChI InChI=1S/C22H17NO3S/c24-18-7-3-1-5-15(18)17-12-22(27-21-8-4-2-6-16(21)23-17)14-9-10-19-20(11-14)26-13-25-19/h1-11,22,24H,12-13H2
InChIKey WXVQTZUWIVVJBM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200590029
Molecular Weight 375.442 g/mol
SMILES Oc1c(cccc1)C=1CC(Sc2c(N1)cccc2)c1cc2OCOc2cc1
SPLASH splash10-00b9-0980000000-25bf50099283581f9bee
Source of Spectrum CBD-2-493-33
Wiley ID 1790186