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1,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-(4-methylphenyl)sulfonyloxybutan-2-yl ester
SpectraBase Compound ID 2g2LPAw45fy
InChI InChI=1S/C21H28O7S/c1-13-7-9-16(10-8-13)29(24,25)28-15(3)14(2)26-17(22)21-12-11-20(6,19(21,4)5)27-18(21)23/h7-10,14-15H,11-12H2,1-6H3/t14?,15?,20-,21+/m1/s1
InChIKey GKOMGKCFMGDMDG-UHFFFAOYSA-N
Mol Weight 424.51 g/mol
Molecular Formula C21H28O7S
Exact Mass 424.155574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qmXWnSxuK
Name 1,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-(4-methylphenyl)sulfonyloxybutan-2-yl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O7S
InChI InChI=1S/C21H28O7S/c1-13-7-9-16(10-8-13)29(24,25)28-15(3)14(2)26-17(22)21-12-11-20(6,19(21,4)5)27-18(21)23/h7-10,14-15H,11-12H2,1-6H3/t14?,15?,20-,21+/m1/s1
InChIKey GKOMGKCFMGDMDG-UHFFFAOYSA-N
Molecular Weight 424.508 g/mol
SMILES C1(O[C@@]2(CC[C@]1(C2(C)C)C(=O)OC(C)C(C)OS(c1ccc(cc1)C)(=O)=O)C)=O
SPLASH splash10-0a5c-8910000000-64945ae6d80dfc689846
Synonyms 1-Methyl-2-([(4-methylphenyl)sulfonyl]oxy)propyl 1,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-4-carboxylate 2,3-Butanediol, p-methylphenylsulfonate 1-(3-oxa-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one)carboxylate 3-(4-Methylphenyl)sulfonyloxybutan-2-yl 1,7,7-trimethyl-3-oxidanylidene-2-oxabicyclo[2.2.1]heptane-4-carboxylate 3-(4-Methylphenyl)sulfonyloxybutan-2-yl 1,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-4-carboxylate 3-keto-1,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid (1-methyl-2-tosyloxy-propyl) ester
Wiley ID 1478669