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4,4a-Dimethyl-3,4,4a,5,6,7-hexahydrobenzopyran-2(H)-one
SpectraBase Compound ID CzWrWfxWYEH
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+/m1/s1
InChIKey SMROKBMYLRVLHK-KCJUWKMLSA-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 BIWgKsQyXdK
Name 4,4a-Dimethyl-3,4,4a,5,6,7-hexahydrobenzopyran-2(H)-one
Comments Less than 3 mono-isotopic peaks
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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+/m1/s1
InChIKey SMROKBMYLRVLHK-KCJUWKMLSA-N
Molecular Weight 180.247 g/mol
SMILES C=12[C@@]([C@](C)(CC(O2)=O)[H])(C)CCCC1
SPLASH splash10-03f0-0900000000-65643f97fb3c3788f9e2
Source of Spectrum QC-4-1906-13
Wiley ID 883347