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2H-Naphtho[8a,1-b]furan-2-one, 8-acetyl-3,3a,4,5,7,8,9,10-octahydro-4,5-bis(methylene)-, (3a.alpha.,8.beta.,10aR*)-(.+-.)-
SpectraBase Compound ID 4CldQtO8HIJ
InChI InChI=1S/C16H18O3/c1-9-6-13-7-12(11(3)17)4-5-16(13)14(10(9)2)8-15(18)19-16/h6,12,14H,1-2,4-5,7-8H2,3H3/t12-,14+,16-/m0/s1
InChIKey REQVGPMSEKKDJM-BJJXKVORSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mMy3hPCpmZ
Name 2H-Naphtho[8a,1-b]furan-2-one, 8-acetyl-3,3a,4,5,7,8,9,10-octahydro-4,5-bis(methylene)-, (3a.alpha.,8.beta.,10aR*)-(.+-.)-
CAS Registry Number 120664-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-9-6-13-7-12(11(3)17)4-5-16(13)14(10(9)2)8-15(18)19-16/h6,12,14H,1-2,4-5,7-8H2,3H3/t12-,14+,16-/m0/s1
InChIKey REQVGPMSEKKDJM-BJJXKVORSA-N
Molecular Weight 258.317 g/mol
SMILES [C@]123C(=CC(C([C@]3(CC(O1)=O)[H])=C)=C)C[C@](CC2)(C(=O)C)[H]
SPLASH splash10-066r-1910000000-734da1d4f7fe592100ba
Source of Spectrum H-71-1262-42
Synonyms (1RS,5RS,11RS)-6,7-dimethylidene-3-oxo-2-oxatricyclo[7.4.0.0(1,5)]tridec-8-en-11-yl methyl ketone (3aR,8S,10aR)-8-acetyl-4,5-dimethylene-3,3a,4,5,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one
Wiley ID 1262045