| SpectraBase Spectrum ID |
nxuJD1rZl5 |
| Name |
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(1H-pyrrol-1-ylamino)carbonyl]- |
| CAS Registry Number |
66832-59-5 |
| Comments |
Note: The molecular formula of the structure shown is C12H13N2O4 - which differs from the formula reported for the mass spectrum (C12H12N2O4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N2O4 |
| InChI |
InChI=1S/C12H13N2O4/c15-11(13-14-5-1-2-6-14)9-7-3-4-8(18-7)10(9)12(16)17/h1-10,14H,(H,13,15)(H,16,17)/t7-,8+,9?,10?/m0/s1 |
| InChIKey |
GALJMUCKGCMKMD-AFWXGSBKSA-N |
| Molecular Weight |
249.246 g/mol |
| SMILES |
N(C(C1[C@]2(O[C@@](C1C(=O)O)(C=C2)[H])[H])=O)[NH]1C=CC=C1 |
| SPLASH |
splash10-03e9-7910000000-d8be6e0726e0fc4388cf |
| Source of Spectrum |
B-31-1027-0 |
| Synonyms |
2-(pyrrol-1-ylcarbamoyl)-3,6-epoxycyclohex-4-enecarboxylic acid
3-[(1H-1lambda(5)-pyrrol-1-ylamino)carbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
NSC 317034 |
| Wiley ID |
1250755 |
![7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(1H-pyrrol-1-ylamino)carbonyl]-](/api/spectrum/nxuJD1rZl5/structure.png?h=300&w=458 "7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(1H-pyrrol-1-ylamino)carbonyl]-")
