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4,8-Etheno-1H-cyclohepta[c]furan-1,3,5-trione, 3a,4,6,7,8,8a-hexahydro-4,7,7-trimethyl-, (3a.alpha.,4.beta.,8.beta.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID Lx46yxTP1SO
InChI InChI=1S/C14H16O4/c1-13(2)6-8(15)14(3)5-4-7(13)9-10(14)12(17)18-11(9)16/h4-5,7,9-10H,6H2,1-3H3/t7-,9+,10-,14-/m0/s1
InChIKey NPYWFNBAVXSHHU-QPJVAMMUSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qUT8fJwDv6
Name 4,8-Etheno-1H-cyclohepta[c]furan-1,3,5-trione, 3a,4,6,7,8,8a-hexahydro-4,7,7-trimethyl-, (3a.alpha.,4.beta.,8.beta.,8a.alpha.)-(.+-.)-
CAS Registry Number 124562-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-13(2)6-8(15)14(3)5-4-7(13)9-10(14)12(17)18-11(9)16/h4-5,7,9-10H,6H2,1-3H3/t7-,9+,10-,14-/m0/s1
InChIKey NPYWFNBAVXSHHU-QPJVAMMUSA-N
Molecular Weight 248.278 g/mol
SMILES [C@@]12(C(OC([C@@]2([C@]2(C(C)(C)CC([C@@]1(C=C2)C)=O)[H])[H])=O)=O)[H]
SPLASH splash10-0a5c-9600000000-e4b8c484af21e25706e6
Source of Spectrum J-55-1367-5
Synonyms (1S,2R,6R,7R)-7,10,10-trimethyl-4-oxatricyclo[5.3.2.0(2,6)]dodec-11-ene-3,5,8-trione
Wiley ID 1251073