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2H-1-Benzopyran-3(5H)-one, 6,8a-dihydro-2,5,5,8a-tetramethyl-, trans-(.+-.)-
SpectraBase Compound ID 78caR6yrZyO
InChI InChI=1S/C13H18O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-9H,6H2,1-4H3/t9-,13+/m0/s1
InChIKey LITINJHMMQXYCC-TVQRCGJNSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OVD15eohU
Name 2H-1-Benzopyran-3(5H)-one, 6,8a-dihydro-2,5,5,8a-tetramethyl-, trans-(.+-.)-
Alternate Name(s) (2R*,8aS*)-3-oxoedulan (2S,8aR)-2,5,5,8a-tetramethyl-6,8a-dihydro-2H-chromen-3(5H)-one
CAS Registry Number 69925-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-9H,6H2,1-4H3/t9-,13+/m0/s1
InChIKey LITINJHMMQXYCC-TVQRCGJNSA-N
Molecular Weight 206.285 g/mol
SMILES C1=2[C@](O[C@](C(C2)=O)(C)[H])(C=CCC1(C)C)C
SPLASH splash10-0297-2900000000-dd24bcb72b56b5458f60
Source of Spectrum H-62-133-0
Wiley ID 1204664