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(S)-5,5-Dimethyl-3,4,4a,8a-tetrahydro-2H,5H-pyrano[4,3-b]pyran-7-carboxylic acid (R)-methyl ester
SpectraBase Compound ID 9UeW7al9Y5
InChI InChI=1S/C12H18O4/c1-12(2)8-5-4-6-15-9(8)7-10(16-12)11(13)14-3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey BUYRILHDGUUBAI-DTWKUNHWSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QDe2s1FV1V
Name (S)-5,5-Dimethyl-3,4,4a,8a-tetrahydro-2H,5H-pyrano[4,3-b]pyran-7-carboxylic acid (R)-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-12(2)8-5-4-6-15-9(8)7-10(16-12)11(13)14-3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey BUYRILHDGUUBAI-DTWKUNHWSA-N
Molecular Weight 226.272 g/mol
SMILES C=1(OC(C)(C)[C@@]2([C@@](C1)(OCCC2)[H])[H])C(=O)OC
SPLASH splash10-03fs-4890000000-17ba6692e52c41e33a98
Source of Spectrum AT-41-76-5
Synonyms Methyl (4aS,8aR)-5,5-dimethyl-3,4,4a,8a-tetrahydro-2H,5H-pyrano[4,3-b]pyran-7-carboxylate Methyl 5,5-dimethyl-4a,8a-trans-hexahydropyrano[3,2-c]pyran-7-carboxylate
Wiley ID 854762