| SpectraBase Spectrum ID |
Khpw4AN8tMY |
| Name |
8a-Methyl-2-(p-toluenesulfonyl)-cis-1,2,3,4,4a,5,6,8a-octahydro-1,6-dioxoisoquiniline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19NO4S |
| InChI |
InChI=1S/C17H19NO4S/c1-12-3-5-15(6-4-12)23(21,22)18-10-8-13-11-14(19)7-9-17(13,2)16(18)20/h3-7,9,13H,8,10-11H2,1-2H3/t13-,17+/m1/s1 |
| InChIKey |
YQGIIHQENWTQPF-DYVFJYSZSA-N |
| Molecular Weight |
333.402 g/mol |
| SMILES |
c1(S(N2C([C@]3(C=CC(C[C@]3(CC2)[H])=O)C)=O)(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-000i-0901000000-54ba04aa8bcd9f12b29e |
| Source of Spectrum |
J-57-5744-11 |
| Synonyms |
(4aR,8aR)-8a-methyl-2-[(4-methylphenyl)sulfonyl]-3,4,4a,8a-tetrahydro-1,6(2H,5H)-isoquinolinedione |
| Wiley ID |
1330158 |
