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Rac-(3aR,4R,7S,7aR,8S)-8-Methoxy-4-methylhexahydro-4,7-methanobenzofuran-2(3H)-one
SpectraBase Compound ID 8CFL2Gb44wn
InChI InChI=1S/C11H16O3/c1-11-4-3-6(10(11)13-2)9-7(11)5-8(12)14-9/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,9+,10-,11+/m0/s1
InChIKey HCBASRALNLQJSF-NVDALUKASA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 424unGmqH4R
Name Rac-(3aR,4R,7S,7aR,8S)-8-Methoxy-4-methylhexahydro-4,7-methanobenzofuran-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-11-4-3-6(10(11)13-2)9-7(11)5-8(12)14-9/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,9+,10-,11+/m0/s1
InChIKey HCBASRALNLQJSF-NVDALUKASA-N
Literature Reference DOI 10.1021/jo500942a
Molecular Weight 196.246 g/mol
SMILES [C@]1([C@@]2([C@@]3([C@]([C@]1(CC2)C)(CC(O3)=O)[H])[H])[H])(OC)[H]
SPLASH splash10-06yo-9500000000-f5722854d25d69b0d7b4
Source of Spectrum J-79-6730-28a
Synonyms (3aS,4S,7R,7aS,8R)-8-methoxy-4-methylhexahydro-4,7-methanobenzofuran-2(3H)-one
Wiley ID 1746313