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2H-1-Benzopyran-2,5(3H)-dione, 4-(1,1-dimethylethyl)-4,6,7,8-tetrahydro-7,7-dimethyl-
SpectraBase Compound ID colEMaucYS
InChI InChI=1S/C15H22O3/c1-14(2,3)9-6-12(17)18-11-8-15(4,5)7-10(16)13(9)11/h9H,6-8H2,1-5H3
InChIKey RGDAUTLKJKSLQZ-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74B5N9xW68S
Name 2H-1-Benzopyran-2,5(3H)-dione, 4-(1,1-dimethylethyl)-4,6,7,8-tetrahydro-7,7-dimethyl-
Alternate Name(s) 4-(t-butyl)-7,7-dimethyl-3,4,5,6,7,8-heexahydro-2H-[l]benzopyran-2,5-dione 4-tert-butyl-7,7-dimethyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
CAS Registry Number 113768-46-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2,3)9-6-12(17)18-11-8-15(4,5)7-10(16)13(9)11/h9H,6-8H2,1-5H3
InChIKey RGDAUTLKJKSLQZ-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C12=C(OC(CC2C(C)(C)C)=O)CC(CC1=O)(C)C
SPLASH splash10-014i-0900000000-6469b87c9547388c6921
Source of Spectrum H-72-976-5
Wiley ID 1253653