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(1R,4R,6R,9S)-4,9-Dimethyl-7-oxabicyclo[4.3.0]nonan-3-one

View entire compound with spectra: 1 MS (GC)

(1R,4R,6R,9S)-4,9-Dimethyl-7-oxabicyclo[4.3.0]nonan-3-one
SpectraBase Compound ID LithnWTfv46
InChI InChI=1S/C10H16O2/c1-6-3-10-8(4-9(6)11)7(2)5-12-10/h6-8,10H,3-5H2,1-2H3/t6-,7-,8-,10-/m1/s1
InChIKey JNCSNSVNEGVMNG-FDDDBJFASA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jrpzk9CFOuS
Name (1R,4R,6R,9S)-4,9-Dimethyl-7-oxabicyclo[4.3.0]nonan-3-one
Alternate Name(s) (3S,3aR,6R,7aR)-3,6-dimethylhexahydro-1-benzofuran-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-6-3-10-8(4-9(6)11)7(2)5-12-10/h6-8,10H,3-5H2,1-2H3/t6-,7-,8-,10-/m1/s1
InChIKey JNCSNSVNEGVMNG-FDDDBJFASA-N
Molecular Weight 168.236 g/mol
SMILES [C@]12([C@](CC([C@@](C2)(C)[H])=O)([C@](C)(CO1)[H])[H])[H]
SPLASH splash10-014i-0900000000-6a8b2c6e545a4aa4a308
Source of Spectrum E1-39-2520-23
Wiley ID 1519051