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(3aR)-7a-[(1S,2R)-1-Hydroxy-2-methylbutyl]-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one
SpectraBase Compound ID 55vJrfNuGEF
InChI InChI=1S/C15H22O3/c1-4-9(2)12(16)15-11-6-5-10(7-11)14(15,3)8-18-13(15)17/h5-6,9-12,16H,4,7-8H2,1-3H3/t9-,10-,11+,12+,14-,15+/m1/s1
InChIKey TWDWZYCCEJMPEU-JTFXCMJOSA-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 ATxqdRTcKry
Name (3aR)-7a-[(1S,2R)-1-Hydroxy-2-methylbutyl]-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-4-9(2)12(16)15-11-6-5-10(7-11)14(15,3)8-18-13(15)17/h5-6,9-12,16H,4,7-8H2,1-3H3/t9-,10-,11+,12+,14-,15+/m1/s1
InChIKey TWDWZYCCEJMPEU-JTFXCMJOSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]([C@]12[C@@]([C@]3(C[C@@]2(C=C3)[H])[H])(COC1=O)C)([C@@](CC)(C)[H])[H]
SPLASH splash10-014i-9800000000-e530954fd60c3cfdab18
Source of Spectrum U1-2012-6645-44
Synonyms (3aR,4S,7R,7aS)-7a-[(1S,2S)-1-Hydroxy-2-methylbutyl]-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one (3aR,4S,7R,7aS)-7a-((1S,2R)-1-hydroxy-2-methylbutyl)-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one
Wiley ID 1735622