| SpectraBase Spectrum ID |
2yL25kl2t9w |
| Name |
(9R,9aS)-9-(p-Toluenesulfonyl)-2,3,5,8,9,9a-hydro-1H-pyrrolo[1,2-a]azepin-3-one |
| Alternate Name(s) |
(9R,9aS)-9-(p-tolylsulfonyl)-1,2,5,8,9,9a-hexahydropyrrolo[1,2-a]azepin-3-one
(9R,9aS)-9-(4-methylphenyl)sulfonyl-1,2,5,8,9,9a-hexahydropyrrolo[1,2-a]azepin-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO3S |
| InChI |
InChI=1S/C16H19NO3S/c1-12-5-7-13(8-6-12)21(19,20)15-4-2-3-11-17-14(15)9-10-16(17)18/h2-3,5-8,14-15H,4,9-11H2,1H3/t14-,15+/m0/s1 |
| InChIKey |
DIKZPQOOKDPNJZ-LSDHHAIUSA-N |
| Molecular Weight |
305.392 g/mol |
| SMILES |
[C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@]2(N(C(=O)CC2)CC=CC1)[H])[H] |
| SPLASH |
splash10-0aou-9221000000-2e74d636ccd0eddb0933 |
| Source of Spectrum |
KD-12-2210-6 |
| Wiley ID |
1634669 |
![(9R,9aS)-9-(p-Toluenesulfonyl)-2,3,5,8,9,9a-hydro-1H-pyrrolo[1,2-a]azepin-3-one](/api/spectrum/2yL25kl2t9w/structure.png?h=300&w=458 "(9R,9aS)-9-(p-Toluenesulfonyl)-2,3,5,8,9,9a-hydro-1H-pyrrolo[1,2-a]azepin-3-one")
