| SpectraBase Spectrum ID |
IU9TeeIGRxA |
| Name |
Methyl (3S*,4S*)-2,3,4,5-tetrahydro-4-methyl-1,5-dioxo-1H-benz[c]azepine-3-carboxylate |
| CAS Registry Number |
137649-42-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-7-10(13(17)18-2)14-12(16)9-6-4-3-5-8(9)11(7)15/h3-7,10H,1-2H3,(H,14,16)/t7-,10-/m0/s1 |
| InChIKey |
KEHPHVDCXQRANC-XVKPBYJWSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
N1[C@@]([C@@](C(c2c(C1=O)cccc2)=O)(C)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-0ab9-9100000000-d30e8af8a7eed41cd5e0 |
| Source of Spectrum |
K-125-2472-0 |
| Synonyms |
Methyl (3S,4S)-4-methyl-1,5-dioxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylate |
| Wiley ID |
1249945 |
![Methyl (3S*,4S*)-2,3,4,5-tetrahydro-4-methyl-1,5-dioxo-1H-benz[c]azepine-3-carboxylate](/api/spectrum/IU9TeeIGRxA/structure.png?h=300&w=458 "Methyl (3S*,4S*)-2,3,4,5-tetrahydro-4-methyl-1,5-dioxo-1H-benz[c]azepine-3-carboxylate")
