| SpectraBase Spectrum ID |
9SwnPRm8iTv |
| Name |
(1S,6S)-Dimethyl 1-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-12-6(4-5-7(14)13-12)8(10(15)17-2)9(12)11(16)18-3/h4-6H,1-3H3,(H,13,14)/t6-,12-/m0/s1 |
| InChIKey |
ZBLVOHVJQQUACT-QTTZVWFDSA-N |
| Molecular Weight |
251.238 g/mol |
| SMILES |
C1(N[C@]2([C@@](C(C(OC)=O)=C2C(OC)=O)([H])C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983913 |
![(1S,6S)-Dimethyl 1-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate](/api/spectrum/9SwnPRm8iTv/structure.png?h=300&w=458 "(1S,6S)-Dimethyl 1-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate")
