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(1S,2S,5S)-2-hydroxy-3-pinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

(1S,2S,5S)-2-hydroxy-3-pinone
SpectraBase Compound ID EgKQfHkvcHt
InChI InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
InChIKey VZRRCQOUNSHSGB-BYULHYEWSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9frTxNGPFxC
Name (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 380342
CAS Registry Number 1845-25-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
InChIKey VZRRCQOUNSHSGB-BYULHYEWSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Wiley ID SIAL_1HNMR_008175