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

*Links on SpectraBase are not permalinks.
1,4,5,6,7,7a-Hexahydro-1-[(2'S)-2'-hydroxy-1'-oxopropyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
SpectraBase Compound ID Dhn87I16nkB
InChI InChI=1S/C13H21NO4S/c1-8(15)11(16)14-10-6-9-4-5-13(10,12(9,2)3)7-19(14,17)18/h8-10,15H,4-7H2,1-3H3/t8-,9-,10-,13-/m0/s1
InChIKey LJYKZGYVUVEGPW-YVNDNENWSA-N
Mol Weight 287.37 g/mol
Molecular Formula C13H21NO4S
Exact Mass 287.119129 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 JDIgpl31uRN
Name 1,4,5,6,7,7a-Hexahydro-1-[(2'S)-2'-hydroxy-1'-oxopropyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4S
InChI InChI=1S/C13H21NO4S/c1-8(15)11(16)14-10-6-9-4-5-13(10,12(9,2)3)7-19(14,17)18/h8-10,15H,4-7H2,1-3H3/t8-,9-,10-,13-/m0/s1
InChIKey LJYKZGYVUVEGPW-YVNDNENWSA-N
Molecular Weight 287.374 g/mol
SMILES O[C@](C(N1S(C[C@]23C([C@@](CC3)(C[C@]12[H])[H])(C)C)(=O)=O)=O)(C)[H]
SPLASH splash10-000i-0900000000-cecc5ac907438aa9fa8b
Source of Spectrum QC-10-540-2
Synonyms (2S)-1-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-1-oxo-2-propanol (3aS,6R,7aR)-1,4,5,6,7,7a-Hexahydro-1-[(2'S)-2'-hydroxy-1'-oxopropyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
Wiley ID 871104