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3H-Pentaleno[2,1-a]indene-3,4,7(3aH,4aH)-trione, 3b,8,8a,8b,9,9a-hexahydro-3a,4a-dimethyl-, (3a.alpha.,3b.beta.,4a.alpha.,8a.alpha.,8b.beta.,9a.alpha.)-
SpectraBase Compound ID 8bq9kv8pm69
InChI InChI=1S/C17H18O3/c1-16-6-5-10(18)8-12(16)11-7-9-3-4-13(19)17(9,2)14(11)15(16)20/h3-6,9,11-12,14H,7-8H2,1-2H3/t9-,11+,12+,14+,16+,17+/m0/s1
InChIKey LHZXIAZWECDJMW-ZPBAHQMLSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1llzzjuT1tk
Name 3H-Pentaleno[2,1-a]indene-3,4,7(3aH,4aH)-trione, 3b,8,8a,8b,9,9a-hexahydro-3a,4a-dimethyl-, (3a.alpha.,3b.beta.,4a.alpha.,8a.alpha.,8b.beta.,9a.alpha.)-
Alternate Name(s) (3aS,3bS,4aR,8aR,8bR,9aR)-3a,4a-dimethyl-3b,8,8a,8b,9,9a-hexahydro-3H-pentaleno[2,1-a]indene-3,4,7(3aH,4aH)-trione rel-(1R,2R,7S,9S,10S,14R)-7,10-dimethyltetracyclo[7.6.0.0(2,7).0(10,14)]pentadeca-5,12-diene-4,8,11-trione
CAS Registry Number 117053-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-16-6-5-10(18)8-12(16)11-7-9-3-4-13(19)17(9,2)14(11)15(16)20/h3-6,9,11-12,14H,7-8H2,1-2H3/t9-,11+,12+,14+,16+,17+/m0/s1
InChIKey LHZXIAZWECDJMW-ZPBAHQMLSA-N
Molecular Weight 270.328 g/mol
SMILES [C@]12(C([C@@]3([C@]4(C(C=C[C@]4(C[C@@]3([C@]2(CC(C=C1)=O)[H])[H])[H])=O)C)[H])=O)C
SPLASH splash10-05ai-2930000000-5014176f1b882d53593f
Source of Spectrum H-71-367-8
Wiley ID 1274583