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2-Cyclohexen-1-one, 3-hydroxy-2-(1-oxobutyl)-5-(tetrahydro-2H-thiopyran-3-yl)-, sodium salt

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

2-Cyclohexen-1-one, 3-hydroxy-2-(1-oxobutyl)-5-(tetrahydro-2H-thiopyran-3-yl)-, sodium salt
SpectraBase Compound ID 9ae8aFMEXeH
InChI InChI=1S/C15H22O3S.Na/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10;/h10-11,17H,2-9H2,1H3;/q;+1/p-1
InChIKey RGFSXQIVHNVBEJ-UHFFFAOYSA-M
Mol Weight 304.37976928 g/mol
Molecular Formula C15H21NaO3S
Exact Mass 304.11091 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 13tFWqZqHNq
Name 2-Cyclohexen-1-one, 3-hydroxy-2-(1-oxobutyl)-5-(tetrahydro-2H-thiopyran-3-yl)-, sodium salt
CAS Registry Number 94723-86-1
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C15H21NaO3S
InChI InChI=1S/C15H22O3S.Na/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10;/h10-11,17H,2-9H2,1H3;/q;+1/p-1
InChIKey RGFSXQIVHNVBEJ-UHFFFAOYSA-M
Instrument Name Bruker IFS 85
Synonyms 2H-Thiopyran, 2-cyclohexen-1-one derivative
Technique KBr-Pellet