For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4(S)-Hydroxy-3(R)-hydroxymethyl-3,4-dihydro-2H-1,2-benzthiazine 1,1-dioxide
SpectraBase Compound ID LFxD92PP99t
InChI InChI=1S/C9H11NO4S/c11-5-7-9(12)6-3-1-2-4-8(6)15(13,14)10-7/h1-4,7,9-12H,5H2/t7-,9+/m1/s1
InChIKey VYTQKFXTABDZOH-APPZFPTMSA-N
Mol Weight 229.25 g/mol
Molecular Formula C9H11NO4S
Exact Mass 229.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BGWayCv5ULP
Name 4(S)-Hydroxy-3(R)-hydroxymethyl-3,4-dihydro-2H-1,2-benzthiazine 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4S
InChI InChI=1S/C9H11NO4S/c11-5-7-9(12)6-3-1-2-4-8(6)15(13,14)10-7/h1-4,7,9-12H,5H2/t7-,9+/m1/s1
InChIKey VYTQKFXTABDZOH-APPZFPTMSA-N
Molecular Weight 229.250 g/mol
SMILES N1[C@](CO)([C@](c2c(S1(=O)=O)cccc2)(O)[H])[H]
SPLASH splash10-0002-0910000000-1c02a134cf831991ef70
Source of Spectrum J-65-7694-13
Synonyms (3R,4S)-1,1-diketo-3-methylol-3,4-dihydro-2H-1,2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1,2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-1,1-dioxo-3,4-dihydro-2H-1,2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ol 1,1-dioxide (3R,4S)-3-(hydroxymethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2-benzothiazin-4-ol
Wiley ID 1533696