For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Methoxycarbonyl-1-methyl-2,3,5-endo-triphenylbicyclo[2.2.1]hept-2-en-7-one
SpectraBase Compound ID 27uOdkLMD9T
InChI InChI=1S/C28H24O3/c1-27-18-22(19-12-6-3-7-13-19)28(25(27)29,26(30)31-2)24(21-16-10-5-11-17-21)23(27)20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3/t22-,27-,28+/m1/s1
InChIKey AGORGYKAKCLXJP-OFEZKSIWSA-N
Mol Weight 408.5 g/mol
Molecular Formula C28H24O3
Exact Mass 408.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 84J7zug9oaM
Name 4-Methoxycarbonyl-1-methyl-2,3,5-endo-triphenylbicyclo[2.2.1]hept-2-en-7-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O3
InChI InChI=1S/C28H24O3/c1-27-18-22(19-12-6-3-7-13-19)28(25(27)29,26(30)31-2)24(21-16-10-5-11-17-21)23(27)20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3/t22-,27-,28+/m1/s1
InChIKey AGORGYKAKCLXJP-OFEZKSIWSA-N
Molecular Weight 408.497 g/mol
SMILES [C@]12(C(=C(c3ccccc3)[C@@](C1=O)(C)C[C@@]2(c1ccccc1)[H])c1ccccc1)C(=O)OC
SPLASH splash10-053r-0009800000-44aa93de578b7d168740
Source of Spectrum KC-0-3469-3
Synonyms (1S,6R)-4-Methyl-7-oxo-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid methyl ester 4-Methoxycarbonyl-1-methyl-2,3,5-exo-triphenylbicyclo[2.2.1]hept-2-en-7-one methyl 4-methyl-7-oxo-2,3,6-triphenylbicyclo[2.2.1]hept-2-ene-1-carboxylate
Wiley ID 826858