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2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 2,3-dimethylbutyl ester, [1.alpha.(S*),4.beta.]-
SpectraBase Compound ID JTHqnci9mkm
InChI InChI=1S/C16H26O4/c1-10(2)11(3)9-19-13(18)16-8-7-15(6,12(17)20-16)14(16,4)5/h10-11H,7-9H2,1-6H3/t11?,15-,16+/m0/s1
InChIKey LHRBUBBQCREAAH-JNMIHDSVSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZOwNjEwYLf
Name 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 2,3-dimethylbutyl ester, [1.alpha.(S*),4.beta.]-
CAS Registry Number 85654-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-10(2)11(3)9-19-13(18)16-8-7-15(6,12(17)20-16)14(16,4)5/h10-11H,7-9H2,1-6H3/t11?,15-,16+/m0/s1
InChIKey LHRBUBBQCREAAH-JNMIHDSVSA-N
Molecular Weight 282.380 g/mol
SMILES C[C@]12C(O[C@@](CC2)(C1(C)C)C(=O)OCC(C)C(C)C)=O
SPLASH splash10-0a5c-9700000000-c97f9920e671bc3ef4b4
Source of Spectrum H-66-122-0
Synonyms 2,3-Dimethylbutyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 2,3-dimethylbutyl ester 2,3-Dimethylbutyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate 2,3-Dimethylbutyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 2,3-dimethylbutyl ester
Wiley ID 1285946