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2H-1-Benzopyran-2,5(3H)-dione, 4-(1,1-dimethylethyl)-4,6,7,8-tetrahydro-
SpectraBase Compound ID 7SUSeLJbn1y
InChI InChI=1S/C13H18O3/c1-13(2,3)8-7-11(15)16-10-6-4-5-9(14)12(8)10/h8H,4-7H2,1-3H3
InChIKey LTZXPIPMCQLSHX-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8vf5rIHc7T
Name 2H-1-Benzopyran-2,5(3H)-dione, 4-(1,1-dimethylethyl)-4,6,7,8-tetrahydro-
CAS Registry Number 127930-87-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2,3)8-7-11(15)16-10-6-4-5-9(14)12(8)10/h8H,4-7H2,1-3H3
InChIKey LTZXPIPMCQLSHX-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C12=C(OC(CC2C(C)(C)C)=O)CCCC1=O
SPLASH splash10-000i-0900000000-248c8acd5d8490bf7862
Source of Spectrum H-72-976-5
Synonyms 4-(t-butyl)-3,4,5,6,7,8-heexahydro-2H-[l]benzopyran-2,5-dione 4-tert-butyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
Wiley ID 1222598