2,3-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

Systematic / IUPAC Name: 2,3-Dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

ID: Reference4684

Other Names: 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2,3-dimethyl-

Formula: C11H13NOS

Spectral Data

2,3-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/27/2016 10:17:13 AM
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Identificators

InChI InChI=1S/C11H13NOS/c1-7-8(2)14-10-6-4-3-5-9(10)12-11(7)13/h3-8H,1-2H3,(H,12,13)
InChI Key GTUFEXDPRZPSSZ-UHFFFAOYSA-N
Canonical SMILES CC1C(SC2=CC=CC=C2NC1=O)C
CAS
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Other Names 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2,3-dimethyl-

In Other Databases

PubChem 2728638
ChemSpider 2010628