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(3aR)-7a-[(S)-1-Hydroxy-2-methylpropyl]-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one
SpectraBase Compound ID AmmqA0KzS3g
InChI InChI=1S/C14H20O3/c1-8(2)11(15)14-10-5-4-9(6-10)13(14,3)7-17-12(14)16/h4-5,8-11,15H,6-7H2,1-3H3/t9-,10+,11+,13-,14+/m1/s1
InChIKey FRAKJDNSBLAYCK-GJKBLCTNSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E673sk14rf6
Name (3aR)-7a-[(S)-1-Hydroxy-2-methylpropyl]-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8(2)11(15)14-10-5-4-9(6-10)13(14,3)7-17-12(14)16/h4-5,8-11,15H,6-7H2,1-3H3/t9-,10+,11+,13-,14+/m1/s1
InChIKey FRAKJDNSBLAYCK-GJKBLCTNSA-N
Molecular Weight 236.311 g/mol
SMILES O[C@]([C@]12[C@@]([C@]3(C[C@@]2(C=C3)[H])[H])(COC1=O)C)(C(C)C)[H]
SPLASH splash10-014r-9000000000-df11d9857ae6f2b7ac4a
Source of Spectrum U1-2012-6645-43
Synonyms (3aR,4S,7R,7aS)-7a-[(S)-1-Hydroxy-2-methylpropyl]-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one (3aR,4S,7R,7aS)-7a-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one
Wiley ID 1735623