| SpectraBase Spectrum ID |
wp0ZKAFafG |
| Name |
3-[(4aS,8aS)-2-(benzenesulfonyl)-1,6-dioxo-3,4,4a,5-tetrahydroisoquinolin-8a-yl]propanoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H21NO6S |
| InChI |
InChI=1S/C19H21NO6S/c1-26-17(22)8-11-19-10-7-15(21)13-14(19)9-12-20(18(19)23)27(24,25)16-5-3-2-4-6-16/h2-7,10,14H,8-9,11-13H2,1H3/t14-,19-/m0/s1 |
| InChIKey |
LKEWLLZZQUFQLR-LIRRHRJNSA-N |
| Molecular Weight |
391.438 g/mol |
| SMILES |
c1(S(N2C([C@@]3(C=CC(C[C@@]3(CC2)[H])=O)CCC(=O)OC)=O)(=O)=O)ccccc1 |
| SPLASH |
splash10-0006-0009000000-104f56bd17665a3c6fae |
| Source of Spectrum |
H1-42-684-22 |
| Synonyms |
3-[(4aS,8aS)-2-besyl-1,6-diketo-3,4,4a,5-tetrahydroisoquinolin-8a-yl]propionic acid methyl ester
methyl 3-[(4aS,8aS)-1,6-bis(oxidanylidene)-2-(phenylsulfonyl)-3,4,4a,5-tetrahydroisoquinolin-8a-yl]propanoate
methyl 3-[(4aS,8aS)-2-(benzenesulfonyl)-1,6-dioxo-3,4,4a,5-tetrahydroisoquinolin-8a-yl]propanoate |
| Wiley ID |
757520 |
![3-[(4aS,8aS)-2-(benzenesulfonyl)-1,6-dioxo-3,4,4a,5-tetrahydroisoquinolin-8a-yl]propanoic acid methyl ester](/api/spectrum/wp0ZKAFafG/structure.png?h=300&w=458 "3-[(4aS,8aS)-2-(benzenesulfonyl)-1,6-dioxo-3,4,4a,5-tetrahydroisoquinolin-8a-yl]propanoic acid methyl ester")
