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(4aSR,8aSR)-Octahydro-4a-hydroxy-2,5,8,8a-tetramethyl-7H-[1]benzopyran-7-one
SpectraBase Compound ID FfBjEAgoLTY
InChI InChI=1S/C13H22O3/c1-8-7-11(14)10(3)12(4)13(8,15)6-5-9(2)16-12/h8-10,15H,5-7H2,1-4H3
InChIKey YNZOZQNUYDNXKY-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeGjZEUD2Al
Name (4aSR,8aSR)-Octahydro-4a-hydroxy-2,5,8,8a-tetramethyl-7H-[1]benzopyran-7-one
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718240
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8-7-11(14)10(3)12(4)13(8,15)6-5-9(2)16-12/h8-10,15H,5-7H2,1-4H3
InChIKey YNZOZQNUYDNXKY-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OC12C(C(C(CC2C)=O)C)(OC(CC1)C)C
SPLASH splash10-00ai-9800000000-020d5476f8040113f239
Source of Spectrum U-1994-424-23
Synonyms (4aRS,8aRS)-Octahydro-4a-hydroxy-2,5,8,8a-tetramethyl-7H-[1]benzopyran-7-one 4a-hydroxy-2,5,8,8a-tetramethyloctahydro-7H-chromen-7-one
Wiley ID 765834