| SpectraBase Spectrum ID |
4fjYNAuhD2 |
| Name |
Dimethyl 1-(phenylthiomethyl)tetrahydro-1H-pyrrolo[1,2-a]azepin-3,3(2H)-dicarboxylate |
| Alternate Name(s) |
Dimethyl 1-((phenylthio)methyl)hexahydro-1H-pyrrolo[1,2-a]azepine-3,3(2H)-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27NO4S |
| InChI |
InChI=1S/C20H27NO4S/c1-24-18(22)20(19(23)25-2)13-15(14-26-16-9-5-3-6-10-16)17-11-7-4-8-12-21(17)20/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3 |
| InChIKey |
QZJPOYXCMPYNIJ-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol702017t |
| Molecular Weight |
377.499 g/mol |
| SMILES |
C1(C(=O)OC)(N2C(CCCCC2)C(CSc2ccccc2)C1)C(=O)OC |
| SPLASH |
splash10-014i-7948000000-102ddb2e28b8a168ca23 |
| Source of Spectrum |
A1-9-4375/SM6-6 |
| Wiley ID |
1758702 |
![Dimethyl 1-(phenylthiomethyl)tetrahydro-1H-pyrrolo[1,2-a]azepin-3,3(2H)-dicarboxylate](/api/spectrum/4fjYNAuhD2/structure.png?h=300&w=458 "Dimethyl 1-(phenylthiomethyl)tetrahydro-1H-pyrrolo[1,2-a]azepin-3,3(2H)-dicarboxylate")
