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(3a.alpha.,4.beta.,7.beta.,7a.alpha.)-4,7-Dihydro-2-phenyl-4,7-methano-3a,7a-propano-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID E1WQ302PlUQ
InChI InChI=1S/C18H17NO2/c20-15-17-9-4-10-18(17,13-8-7-12(17)11-13)16(21)19(15)14-5-2-1-3-6-14/h1-3,5-8,12-13H,4,9-11H2/t12-,13+,17-,18+
InChIKey AAYHZZMSLFJESN-WVMBZCLNSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8z2b7ROK1iz
Name (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-4,7-Dihydro-2-phenyl-4,7-methano-3a,7a-propano-1H-isoindole-1,3(2H)-dione
Alternate Name(s) (1R,2R,5S,6S)-8-phenyl-8-azatetracyclo[4.3.3.1(2,5).0(1,6)]tridec-3-ene-7,9-dione
CAS Registry Number 79681-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c20-15-17-9-4-10-18(17,13-8-7-12(17)11-13)16(21)19(15)14-5-2-1-3-6-14/h1-3,5-8,12-13H,4,9-11H2/t12-,13+,17-,18+
InChIKey AAYHZZMSLFJESN-WVMBZCLNSA-N
Molecular Weight 279.339 g/mol
SMILES C1(N(C([C@]23[C@]4(C=C[C@@]([C@]12CCC3)(C4)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-03di-2190000000-475fe0ed9c716a940407
Source of Spectrum J-47-72-0
Wiley ID 1283156