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(3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione

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

(3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione
SpectraBase Compound ID 82Ik4H8lLOn
InChI InChI=1S/C10H14O3/c1-9-4-2-7(11)6-10(9,13)5-3-8(9)12/h13H,2-6H2,1H3/t9-,10+/m1/s1
InChIKey PUHCDQVSBDIJTM-ZJUUUORDSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bHNnNrlBIn
Name (3aS,7aS)-(+)-Hexahydro-3a-hydroxy-7a-methyl-1,5-indandione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 297933
CAS Registry Number 33879-04-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-9-4-2-7(11)6-10(9,13)5-3-8(9)12/h13H,2-6H2,1H3/t9-,10+/m1/s1
InChIKey PUHCDQVSBDIJTM-ZJUUUORDSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Hajos-Parrish diketone
Wiley ID SIAL_13CNMR_005780