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(4S*,8aR*)-4-Methyl-1,5,7,8-tetrahydro-4a,8a-propanoisochromen-6-one
SpectraBase Compound ID 4FWyPWmMWrE
InChI InChI=1S/C13H20O2/c1-10-8-15-9-12-4-2-5-13(10,12)7-11(14)3-6-12/h10H,2-9H2,1H3/t10-,12+,13-/m1/s1
InChIKey KIHHMGWKPGDKSS-KGYLQXTDSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTrjrHyleFj
Name (4S*,8aR*)-4-Methyl-1,5,7,8-tetrahydro-4a,8a-propanoisochromen-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10-8-15-9-12-4-2-5-13(10,12)7-11(14)3-6-12/h10H,2-9H2,1H3/t10-,12+,13-/m1/s1
InChIKey KIHHMGWKPGDKSS-KGYLQXTDSA-N
Molecular Weight 208.301 g/mol
SMILES [C@@]123[C@@](CCC(C3)=O)(COC[C@]1(C)[H])CCC2
SPLASH splash10-0006-9400000000-133183b54cbdb1b8092e
Source of Spectrum K1-0-369-44
Synonyms (1R,6R)-5-methyl-3-oxatricyclo[4.4.3.0(1,6)]tridecan-8-one (4S*,4aR*,8aR*)-4-Methyl-1,5,7,8-tetrahydro-4a,8a-propanoisochromen-6-one
Wiley ID 1588225