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2H,5H-Pyrano[4,3-b]pyran-2,5-dione, 4-(1,1-dimethylethyl)-3,4,7,8-tetrahydro-7,7-dimethyl-
SpectraBase Compound ID IDx2QaD8rao
InChI InChI=1S/C14H20O4/c1-13(2,3)8-6-10(15)17-9-7-14(4,5)18-12(16)11(8)9/h8H,6-7H2,1-5H3
InChIKey XWPCFLPBAIVZQP-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnJmbvRexEF
Name 2H,5H-Pyrano[4,3-b]pyran-2,5-dione, 4-(1,1-dimethylethyl)-3,4,7,8-tetrahydro-7,7-dimethyl-
Alternate Name(s) 4-(t-butyl)-3,4,7,8-tetrahydro-2H,5H-pyrano[4,3-b]pyran-2,5-dione 4-tert-butyl-7,7-dimethyl-3,4,7,8-tetrahydro-2H,5H-pyrano[4,3-b]pyran-2,5-dione
CAS Registry Number 127930-90-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-13(2,3)8-6-10(15)17-9-7-14(4,5)18-12(16)11(8)9/h8H,6-7H2,1-5H3
InChIKey XWPCFLPBAIVZQP-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES C1=2C(OC(CC2OC(CC1C(C)(C)C)=O)(C)C)=O
SPLASH splash10-014i-0900000000-bb35d15b57bdb562d543
Source of Spectrum H-72-976-5
Wiley ID 1255582