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3,4-dihydro-4-(2-phenoxypropionyl)-2H-1,4-benzothiazine

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3,4-dihydro-4-(2-phenoxypropionyl)-2H-1,4-benzothiazine
SpectraBase Compound ID IeSTypgGqqY
InChI InChI=1S/C17H17NO2S/c1-13(20-14-7-3-2-4-8-14)17(19)18-11-12-21-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3
InChIKey ILEQOPIJKUAEHG-UHFFFAOYSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F3ma0kutiZd
Name 3,4-Dihydro-4-(2-phenoxypropionyl)-2H-1,4-benzothiazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.097999963 u
Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-13(20-14-7-3-2-4-8-14)17(19)18-11-12-21-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3
InChIKey ILEQOPIJKUAEHG-UHFFFAOYSA-N
Molecular Weight 299.388 g/mol
SMILES C=12C=CC=CC1SCCN2C(C(OC=1C=CC=CC1)C)=O
Spectrum/Structure Validation Score (Raman) 0.791375