| SpectraBase Spectrum ID |
3aqmh5X5F0J |
| Name |
trans-Dimethyl 10-methyl-4-oxo-2-(phenylthio)-4,6,6a,9,11,11a-hexahydro-1H-pyrido[1,2-b]isoquinoline-7,8-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H25NO5S |
| InChI |
InChI=1S/C24H25NO5S/c1-14-9-19(23(27)29-2)22(24(28)30-3)20-13-25-15(11-18(14)20)10-17(12-21(25)26)31-16-7-5-4-6-8-16/h4-8,12,15,20H,9-11,13H2,1-3H3/t15-,20+/m1/s1 |
| InChIKey |
IOFHMINHBHVFRD-QRWLVFNGSA-N |
| Molecular Weight |
439.526 g/mol |
| SMILES |
C1(=C([C@]2(CN3C(C=C(C[C@@]3(CC2=C(C1)C)[H])Sc1ccccc1)=O)[H])C(=O)OC)C(=O)OC |
| SPLASH |
splash10-000i-0000900000-2201a339a0b40bb058d6 |
| Source of Spectrum |
F-67-4510-12a |
| Wiley ID |
1686664 |
![trans-Dimethyl 10-methyl-4-oxo-2-(phenylthio)-4,6,6a,9,11,11a-hexahydro-1H-pyrido[1,2-b]isoquinoline-7,8-dicarboxylate](/api/spectrum/3aqmh5X5F0J/structure.png?h=300&w=458 "trans-Dimethyl 10-methyl-4-oxo-2-(phenylthio)-4,6,6a,9,11,11a-hexahydro-1H-pyrido[1,2-b]isoquinoline-7,8-dicarboxylate")
