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(4aR,8aR)-4a,5,8,8a-Tetrahydro-1,1,6-trimethyl-1H-2-benzopyran-3(4H)-one
SpectraBase Compound ID CfWRYVhg6KN
InChI InChI=1S/C12H18O2/c1-8-4-5-10-9(6-8)7-11(13)14-12(10,2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKey NBUBMEJCZGGMHY-NXEZZACHSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLccFjsuR99
Name (4aR,8aR)-4a,5,8,8a-Tetrahydro-1,1,6-trimethyl-1H-2-benzopyran-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-4-5-10-9(6-8)7-11(13)14-12(10,2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKey NBUBMEJCZGGMHY-NXEZZACHSA-N
Literature Reference DOI 10.1002/hlca.19860690826
Molecular Weight 194.274 g/mol
SMILES C=1C[C@@]2([C@](CC1C)(CC(OC2(C)C)=O)[H])[H]
SPLASH splash10-002f-9600000000-d9de9f8d923082eb105d
Source of Spectrum H-69-2035-16
Synonyms (4aR,8aR)-1,1,6-trimethyl-1,4,4a,5,8,8a-hexahydro-3H-isochromen-3-one
Wiley ID 1794934