| SpectraBase Spectrum ID |
1TkDqMjKsQK |
| Name |
2-(3',4'-Dimethoxybenzyl)-3.alpha.,4,7,7.alpha.-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 881346 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17NO5 |
| InChI |
InChI=1S/C17H17NO5/c1-21-10-4-3-9(7-13(10)22-2)8-18-16(19)14-11-5-6-12(23-11)15(14)17(18)20/h3-7,11-12,14-15H,8H2,1-2H3/t11-,12+,14-,15+ |
| InChIKey |
HXQHSGABLVFBHS-CUFDPUGPSA-N |
| Molecular Weight |
315.325 g/mol |
| SMILES |
C1(N(C([C@]2([C@@]3(C=C[C@]([C@@]12[H])(O3)[H])[H])[H])=O)Cc1cc(OC)c(cc1)OC)=O |
| SPLASH |
splash10-0002-2091000000-b045968acf470a825c04 |
| Source of Spectrum |
SK-30-1386-7 |
| Synonyms |
(1R,2S,6R,7S)-4-(3,4-Dimethoxy-benzyl)-10-oxa-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
(3aR,4S,7R,7aS)-2-[(3,4-dimethoxyphenyl)methyl]-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione |
| Wiley ID |
1820862 |
