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4-(1,1-Dimethylethyl)dihydrocoumarin
SpectraBase Compound ID DOJG22oecFa
InChI InChI=1S/C13H16O2/c1-13(2,3)10-8-12(14)15-11-7-5-4-6-9(10)11/h4-7,10H,8H2,1-3H3
InChIKey IYVGWWFIJMJUEU-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yMiBDRtR2
Name 4-(1,1-Dimethylethyl)dihydrocoumarin
Alternate Name(s) 4-tert-Butyldihydrocoumarin 4-tert-Butyl-2-chromanone 4-tert-Butyl-3,4-dihydro-2H-1-benzopyran-2-one 4-tert-Butyl-3,4-dihydrochromen-2-one
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Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-13(2,3)10-8-12(14)15-11-7-5-4-6-9(10)11/h4-7,10H,8H2,1-3H3
InChIKey IYVGWWFIJMJUEU-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(c2c(cccc2)OC(C1)=O)C(C)(C)C
SPLASH splash10-052b-9810000000-4a719493dfbf2beed5c1
Source of Spectrum C-117-3962-0
Wiley ID 758937