| SpectraBase Spectrum ID |
55T2Y01y1OC |
| Name |
cis-2-(3,4,5-Trimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Alternate Name(s) |
(3aR,7aS)-2-(3,4,5-trimethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19NO5 |
| InChI |
InChI=1S/C17H19NO5/c1-21-13-8-10(9-14(22-2)15(13)23-3)18-16(19)11-6-4-5-7-12(11)17(18)20/h4-5,8-9,11-12H,6-7H2,1-3H3/t11-,12+ |
| InChIKey |
MPYWFBMTJXTAGS-TXEJJXNPSA-N |
| Molecular Weight |
317.341 g/mol |
| SMILES |
C1(N(C([C@]2(CC=CC[C@@]12[H])[H])=O)c1cc(OC)c(c(c1)OC)OC)=O |
| SPLASH |
splash10-014i-0009000000-d64f8cbb99759f0b7388 |
| Source of Spectrum |
F2-46-1652-2b |
| Wiley ID |
1703482 |
