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11b-hydroxy-1,3,4,5-tetrahydro-[1,4]thiazepino[3,4-a]isoindol-7-one
SpectraBase Compound ID JJy5P9b5ulD
InChI InChI=1S/C12H13NO2S/c14-11-9-4-1-2-5-10(9)12(15)8-16-7-3-6-13(11)12/h1-2,4-5,15H,3,6-8H2
InChIKey ATEXGFBQIRRBGT-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tIpeCVqkGK
Name 11b-hydroxy-1,3,4,5-tetrahydro-[1,4]thiazepino[3,4-a]isoindol-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c14-11-9-4-1-2-5-10(9)12(15)8-16-7-3-6-13(11)12/h1-2,4-5,15H,3,6-8H2
InChIKey ATEXGFBQIRRBGT-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES OC12N(C(c3ccccc23)=O)CCCSC1
SPLASH splash10-01p9-0910000000-3bc287b15fe9d8364c2f
Source of Spectrum QB-15-159-16
Synonyms 11b-hydroxy-1,3,4,5-tetrahydro-[1,4]thiazepin[3,4-a]isoindol-7-one 11b-oxidanyl-1,3,4,5-tetrahydro-[1,4]thiazepino[3,4-a]isoindol-7-one
Wiley ID 841267