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

*Links on SpectraBase are not permalinks.
2-((rel-3aS,4R,7aR)-2-methyl-1,3-dioxo-5-vinyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)acetaldehyde
SpectraBase Compound ID 34XUw28LZJp
InChI InChI=1S/C13H15NO3/c1-3-8-4-5-10-11(9(8)6-7-15)13(17)14(2)12(10)16/h3-4,7,9-11H,1,5-6H2,2H3/t9-,10+,11-/m0/s1
InChIKey IIPDVWUSKNZVRX-AXFHLTTASA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 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 DoUdAOD1Aza
Name 2-((rel-3aS,4R,7aR)-2-methyl-1,3-dioxo-5-vinyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)acetaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-8-4-5-10-11(9(8)6-7-15)13(17)14(2)12(10)16/h3-4,7,9-11H,1,5-6H2,2H3/t9-,10+,11-/m0/s1
InChIKey IIPDVWUSKNZVRX-AXFHLTTASA-N
Literature Reference DOI 10.1021/ol702202b
Molecular Weight 233.267 g/mol
SMILES C1=C([C@@]([C@]2([C@](C(=O)N(C)C2=O)(C1)[H])[H])(CC=O)[H])C=C
SPLASH splash10-0006-9820000000-d83413302930a73f346f
Source of Spectrum A1-9-5163/SMS4-18
Synonyms 2-((3aS,4R,7aR)-2-methyl-1,3-dioxo-5-vinyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)acetaldehyde
Wiley ID 1758766