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Bicyclo[3.1.1]hept-2-ene-2-propanoic acid, 6,6-dimethyl-.alpha.-(methylsulfonyl)-, methyl ester, [1.alpha.,2(S*),5.alpha.]-
SpectraBase Compound ID 77x9XrwIY4z
InChI InChI=1S/C14H22O4S/c1-14(2)10-6-5-9(11(14)8-10)7-12(13(15)18-3)19(4,16)17/h5,10-12H,6-8H2,1-4H3
InChIKey OVQURNBTAQREJS-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C14H22O4S
Exact Mass 286.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QK1V47OMH9
Name Bicyclo[3.1.1]hept-2-ene-2-propanoic acid, 6,6-dimethyl-.alpha.-(methylsulfonyl)-, methyl ester, [1.alpha.,2(S*),5.alpha.]-
CAS Registry Number 67428-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4S
InChI InChI=1S/C14H22O4S/c1-14(2)10-6-5-9(11(14)8-10)7-12(13(15)18-3)19(4,16)17/h5,10-12H,6-8H2,1-4H3
InChIKey OVQURNBTAQREJS-UHFFFAOYSA-N
Molecular Weight 286.386 g/mol
SMILES C(S(=O)(=O)C)(CC=1C2C(C)(C)C(CC1)C2)C(=O)OC
SPLASH splash10-01qc-5930000000-b051170eeb1367856273
Source of Spectrum C-100-3422-0
Synonyms 6,6-Dimethyl-2-(2'-carbomethoxy-2'-methylsulfonylethyl)bicyclo(3.1.1)hept-2-ene Methyl 3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2-(methylsulfonyl)propanoate
Wiley ID 1289540