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Pentaleno[1,6a-c]pyran-5-carboxylic acid, 1,2,4,4a,6a,7,8,9-octahydro-8,8-dimethyl-, methyl ester, (4a.alpha.,6a.beta.,6aR*)-(.+-.)-
SpectraBase Compound ID 8w7cX3IFZue
InChI InChI=1S/C15H22O3/c1-15(2)6-4-10-12(14(16)17-3)9-5-7-18-8-11(9)13(10)15/h9,11,13H,4-8H2,1-3H3
InChIKey OTVMFFKSXPENCI-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 ByVn3tAFeR4
Name Pentaleno[1,6a-c]pyran-5-carboxylic acid, 1,2,4,4a,6a,7,8,9-octahydro-8,8-dimethyl-, methyl ester, (4a.alpha.,6a.beta.,6aR*)-(.+-.)-
CAS Registry Number 117062-93-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-15(2)6-4-10-12(14(16)17-3)9-5-7-18-8-11(9)13(10)15/h9,11,13H,4-8H2,1-3H3
InChIKey OTVMFFKSXPENCI-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C12=C(C3CCOCC3C2C(C)(C)CC1)C(=O)OC
SPLASH splash10-066u-3950000000-f855c05c0b0055b88bd3
Source of Spectrum F-43-5682-9
Synonyms 8,8-Dimethyl-(tetrahydropyranyl[3,4-a](bicyclo[3.3.0]oct))-5-en-5-ylmethanoate Methyl 8,8-dimethyl-3,4,4a,6,7,8,8a,8b-octahydro-1H-pentaleno[1,2-c]pyran-5-carboxylate
Wiley ID 1253631