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1H,3H-4a,8a-Epoxy-5,8-methanonaphtho[2,3-c]furan-1,3-dione, octahydro-, (3a.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9a.alpha.)-
SpectraBase Compound ID 8s5965UJ8fl
InChI InChI=1S/C13H14O4/c14-10-8-4-12-6-1-2-7(3-6)13(12,17-12)5-9(8)11(15)16-10/h6-9H,1-5H2/t6-,7+,8+,9-,12-,13+
InChIKey PRBSNYGIHLNGOD-ZMNFOFMFSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BLkrqu41K4
Name 1H,3H-4a,8a-Epoxy-5,8-methanonaphtho[2,3-c]furan-1,3-dione, octahydro-, (3a.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9a.alpha.)-
CAS Registry Number 104824-97-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c14-10-8-4-12-6-1-2-7(3-6)13(12,17-12)5-9(8)11(15)16-10/h6-9H,1-5H2/t6-,7+,8+,9-,12-,13+
InChIKey PRBSNYGIHLNGOD-ZMNFOFMFSA-N
Molecular Weight 234.251 g/mol
SMILES [C@]123[C@](C[C@]4(C(=O)OC([C@]4(C1)[H])=O)[H])([C@]1([H])C[C@]2(CC1)[H])O3
SPLASH splash10-014i-0950000000-12a523fd7557b2570274
Source of Spectrum H-68-1727-34
Synonyms (1R,2S,4S,5R,7R,8S)-2,7-epoxytricyclo[6.2.1.0(2,7)]undecane-4,5-dicarboxylic (1R,3S,7R,9S,10S,13R)-5,14-dioxapentacyclo[7.4.1.1(10,13).0(1,9).0(3,7)]pentadecane-4,6-dione
Wiley ID 1235900