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(4a,8a-cis) 8a-methoxycarbonyl-8-hydroxymethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1,2-dione
SpectraBase Compound ID Doe3SqiHNB1
InChI InChI=1S/C13H14O5/c1-18-12(17)13-8(3-2-4-9(13)7-14)5-6-10(15)11(13)16/h2,4-6,8-9,14H,3,7H2,1H3/t8-,9-,13-/m1/s1
InChIKey VXKSUXUHLDQZNJ-JRKPZEMJSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FufYLux0QHF
Name (4a,8a-cis) 8a-methoxycarbonyl-8-hydroxymethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1,2-dione
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-18-12(17)13-8(3-2-4-9(13)7-14)5-6-10(15)11(13)16/h2,4-6,8-9,14H,3,7H2,1H3/t8-,9-,13-/m1/s1
InChIKey VXKSUXUHLDQZNJ-JRKPZEMJSA-N
Molecular Weight 250.250 g/mol
SMILES OC[C@@]1([C@]2(C(C(=O)C=C[C@]2(CC=C1)[H])=O)C(=O)OC)[H]
SPLASH splash10-00rx-4940000000-7bfc33e2349acf56f1d6
Source of Spectrum JA-50-271-0
Wiley ID 1240291