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(3S,4aR)-3,4a-Dimethyl-3,4,4a,5,6,7-hexahydro-2H-1-benzopyran-2-one
SpectraBase Compound ID vOQHOHH10O
InChI InChI=1S/C11H16O2/c1-8-7-11(2)6-4-3-5-9(11)13-10(8)12/h5,8H,3-4,6-7H2,1-2H3/t8-,11+/m0/s1
InChIKey DJZPBCRISXGYPC-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 3Br2ud3GYi
Name (3S,4aR)-3,4a-Dimethyl-3,4,4a,5,6,7-hexahydro-2H-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8-7-11(2)6-4-3-5-9(11)13-10(8)12/h5,8H,3-4,6-7H2,1-2H3/t8-,11+/m0/s1
InChIKey DJZPBCRISXGYPC-GZMMTYOYSA-N
Molecular Weight 180.247 g/mol
SMILES C=12OC([C@](C[C@@]2(C)CCCC1)(C)[H])=O
SPLASH splash10-03di-8900000000-4ccaa18a05b323f17fcf
Source of Spectrum QC-6-1810-19
Synonyms (3S,4aR)-3,4a-dimethyl-3,4,4a,5,6,7-hexahydro-2H-chromen-2-one
Wiley ID 868941