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(1R,6S,7R)-(3,7-dimethyl)-8-oxabicyclo[4.3.0]non-3-en-9-one
SpectraBase Compound ID JiE9pSul2lu
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)12-10(11)9(8)5-6/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-/m1/s1
InChIKey ZTBDNOFTLDERTQ-IWSPIJDZSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1MsGuYio4x
Name (1R,6S,7R)-(3,7-dimethyl)-8-oxabicyclo[4.3.0]non-3-en-9-one
CAS Registry Number 111533-95-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)12-10(11)9(8)5-6/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-/m1/s1
InChIKey ZTBDNOFTLDERTQ-IWSPIJDZSA-N
Molecular Weight 166.220 g/mol
SMILES C1(O[C@](C)([C@@]2([C@]1(CC(=CC2)C)[H])[H])[H])=O
SPLASH splash10-0006-9200000000-e9a00c0ca6bf9bf000bb
Source of Spectrum F-44-1717-19
Synonyms (3R,3aS,7aR)-3,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 1162661