| SpectraBase Spectrum ID |
LG9uFgVepNR |
| Name |
(4aS,8aS)-N-Benzenesulfonyl-8a-(7-cyanohept-3-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-isoquinoline-1,6-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H26N2O4S |
| InChI |
InChI=1S/C23H26N2O4S/c24-16-9-4-2-1-3-8-14-23-15-12-20(26)18-19(23)13-17-25(22(23)27)30(28,29)21-10-6-5-7-11-21/h1,3,5-7,10-12,15,19H,2,4,8-9,13-14,17-18H2/b3-1-/t19-,23+/m0/s1 |
| InChIKey |
JDTKBNFWZRFBMC-ZATPDCSASA-N |
| Molecular Weight |
426.531 g/mol |
| SMILES |
c1(S(N2C([C@@]3(C=CC(C[C@@]3(CC2)[H])=O)CC\C=C/CCCC#N)=O)(=O)=O)ccccc1 |
| SPLASH |
splash10-0a4i-0009000000-85d8c7f788301d80f90f |
| Source of Spectrum |
H1-42-683-19 |
| Synonyms |
(5Z)-8-((4aS,8aS)-1,6-dioxo-2-(phenylsulfonyl)-2,3,4,4a,5,6-hexahydro-8a(1H)-isoquinolinyl)-5-octenenitrile
N-Benzenesulfonyl-8a-(7-cyanohept-3-en-1-yl)tetrahydroisoquinoline-1,6-dione |
| Wiley ID |
757521 |
