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2-[2,3-Dihydro-2-(3-methoxyphenyl)-1,5-benzothiazepin-4-yl]phenol
SpectraBase Compound ID 45KzZUVKlIP
InChI InChI=1S/C22H19NO2S/c1-25-16-8-6-7-15(13-16)22-14-19(17-9-2-4-11-20(17)24)23-18-10-3-5-12-21(18)26-22/h2-13,22,24H,14H2,1H3
InChIKey BEKZGXSAFLYQHA-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C22H19NO2S
Exact Mass 361.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SwBEpG46fl
Name 2-[2,3-Dihydro-2-(3-methoxyphenyl)-1,5-benzothiazepin-4-yl]phenol
Alternate Name(s) 2-(2-(3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO2S
InChI InChI=1S/C22H19NO2S/c1-25-16-8-6-7-15(13-16)22-14-19(17-9-2-4-11-20(17)24)23-18-10-3-5-12-21(18)26-22/h2-13,22,24H,14H2,1H3
InChIKey BEKZGXSAFLYQHA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200590029
Molecular Weight 361.459 g/mol
SMILES Oc1c(cccc1)C=1CC(Sc2c(N1)cccc2)c1cc(ccc1)OC
SPLASH splash10-0059-0590000000-7b8850879ac6e1e5164e
Source of Spectrum CBD-2-493-34
Wiley ID 1790187