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3H-Pentaleno[2,1-a]indene-3,4,7(3aH,6H)-trione, 3b,8,8a,8b,9,9a-hexahydro-2,3b-dimethyl-, (3a.alpha.,3b.beta.,8a.alpha.,8b.beta.,9a.alpha.)-
SpectraBase Compound ID 2OtOtMINxHG
InChI InChI=1S/C17H18O3/c1-8-5-9-6-13-12-7-10(18)3-4-11(12)16(20)17(13,2)14(9)15(8)19/h4-5,9,12-14H,3,6-7H2,1-2H3/t9-,12-,13+,14+,17-/m0/s1
InChIKey CWHBUKQUQHWNMO-QTSZFHIDSA-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 8iEyYNkrUkg
Name 3H-Pentaleno[2,1-a]indene-3,4,7(3aH,6H)-trione, 3b,8,8a,8b,9,9a-hexahydro-2,3b-dimethyl-, (3a.alpha.,3b.beta.,8a.alpha.,8b.beta.,9a.alpha.)-
Alternate Name(s) (3aS,3bS,8aR,8bR,9aR)-2,3b-dimethyl-3b,8,8a,8b,9,9a-hexahydro-3H-pentaleno[2,1-a]indene-3,4,7(3aH,6H)-trione rel-(1R,2R,9S,10S,14R)-9,12-dimethyltetracyclo[7.6.0.0(2,7).0(10,14)]pentadeca-6,12-diene-4,8,11-trione
CAS Registry Number 117053-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-8-5-9-6-13-12-7-10(18)3-4-11(12)16(20)17(13,2)14(9)15(8)19/h4-5,9,12-14H,3,6-7H2,1-2H3/t9-,12-,13+,14+,17-/m0/s1
InChIKey CWHBUKQUQHWNMO-QTSZFHIDSA-N
Molecular Weight 270.328 g/mol
SMILES [C@]12(C(C3=CCC(C[C@@]3([C@]2(C[C@]2([C@@]1(C(C(C)=C2)=O)[H])[H])[H])[H])=O)=O)C
SPLASH splash10-007k-3920000000-73002bf4e7541ddb5a83
Source of Spectrum H-71-367-9
Wiley ID 1274584