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(4S,4aR)-4,4a-Dimethyl-3,4,4a,5,6,7-hexahydro-2H-1-benzopyran-2-one
SpectraBase Compound ID 4FDpuvIYo0F
InChI InChI=1S/C11H16O2/c1-8-7-10(12)13-9-5-3-4-6-11(8,9)2/h5,8H,3-4,6-7H2,1-2H3/t8-,11+/m0/s1
InChIKey SMROKBMYLRVLHK-GZMMTYOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KX4xurowtJ5
Name (4S,4aR)-4,4a-Dimethyl-3,4,4a,5,6,7-hexahydro-2H-1-benzopyran-2-one
Alternate Name(s) (4S,4aR)-4,4a-dimethyl-3,4,4a,5,6,7-hexahydro-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8-7-10(12)13-9-5-3-4-6-11(8,9)2/h5,8H,3-4,6-7H2,1-2H3/t8-,11+/m0/s1
InChIKey SMROKBMYLRVLHK-GZMMTYOYSA-N
Molecular Weight 180.247 g/mol
SMILES C=12[C@]([C@@](C)(CC(O2)=O)[H])(C)CCCC1
SPLASH splash10-02t9-6900000000-c2d3ccdcb4080b7625c9
Source of Spectrum QC-6-1808-12
Wiley ID 868946