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(3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one, 0.2 g/mL, in 0.1M

Compound with spectra: 2 NMR, and 1 MS (GC)

(3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one, 0.2 g/mL, in 0.1M
SpectraBase Compound ID 2LifvRTaWGQ
InChI InChI=1S/C9H12O4/c1-9(2)12-7-5(10)3-4-6(11)8(7)13-9/h3-5,7-8,10H,1-2H3/t5-,7+,8-/m1/s1
InChIKey HGCFQLJTJYOOEV-MHSYXAOVSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol
Enantiomer InChIKey HGCFQLJTJYOOEV-ARDNSNSESA-N

View Spectrum of (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one, 0.2 g/mL, in 0.1M

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F3-31-236-21

View Spectrum of (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one, 0.2 g/mL, in 0.1M

13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 493880
Solvent CDCl3

View Spectrum of (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one, 0.2 g/mL, in 0.1M

1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 493880
Solvent CDCl3
  • 4-Hydroxy-5,6-[O,O-isopropylidene]-cyclohex-2-en-1-one
  • (3aS,7R,7aS)-2,2-dimethyl-7-oxidanyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
(2E,4S,5S,6S,15R)-4-HYDROXY-5,6-(ISOPROPYLIDENDIOXY)-HEXADEC-2-EN-15-OLIDE
Methyl (10S,11R,12S)-10-hydroxy-11,12-(isopropylidenedioxy)eicosa-5(Z),8(Z),14(Z)-dienynoate
Methyl 10(S)-hydroxy-11(R),12(S)-(isopropylidenedioxy)eicosa-5,8-die-14-ynoate
(1rs,2rs,3sr,6sr)-3,6-Diethoxy-1,2-o-isopropylidene-cyclohex-4-ene-1,2-diol
(3R,4R)-3,4-(isopropylidenedioxy)-2-(methoxymethoxy)undec-5-en-1-al
(3a.alpha.,4.alpha.,5.beta.,7a.alpha.)-5-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
(4R,5R)-2,2-Dimethyl-4-(1'-methylene-2'-methylpropyl)-5-(1'R,2'-dihydroxyethyl)-1,3-dioxolane:
(4R,5S)-5-(But-2'-enyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid - [1R}-1'-Methylbut-3'-enyl ester
2,3-O-ISOPROPYLIDENECARBA-BETA-DL-RIBONOLACTONE
2-Methoxy-7,7-dimethyl-4-oxo-3,6,8-trioxabicyclo[3.3.0]octane

This compound is available in the following databases:

Sigma Aldrich NMR Library
Author: Sigma Aldrich

The Sigma-Aldrich Library of NMR Spectra is a comprehensive collection of NMR spectra for organic compounds sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

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