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2H-3-Isopropoxy-2-methyl-1,4-benzothiazine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2H-3-Isopropoxy-2-methyl-1,4-benzothiazine
SpectraBase Compound ID KxU4qhIFZQ7
InChI InChI=1S/C12H15NOS/c1-8(2)14-12-9(3)15-11-7-5-4-6-10(11)13-12/h4-9H,1-3H3
InChIKey HCWQOVSLRCQOMQ-UHFFFAOYSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CLzwTjgjT5W
Name 2H-3-Isopropoxy-2-methyl-1,4-benzothiazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.087435280 u
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c1-8(2)14-12-9(3)15-11-7-5-4-6-10(11)13-12/h4-9H,1-3H3
InChIKey HCWQOVSLRCQOMQ-UHFFFAOYSA-N
Molecular Weight 221.318 g/mol
SMILES C1(=NC=2C(SC1C)=CC=CC2)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883822