| SpectraBase Spectrum ID |
GBSc3lgMxFL |
| Name |
1-Methoxy-2.alpha.-phthalimido-8-oxabicyclo[3.2.1]oct-6-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.079372518 u |
| Formula |
C16H13NO5 |
| InChI |
InChI=1S/C16H13NO5/c1-21-16-7-6-9(22-16)8-12(18)13(16)17-14(19)10-4-2-3-5-11(10)15(17)20/h2-7,9,13H,8H2,1H3/t9?,13-,16?/m0/s1 |
| InChIKey |
ZGAVQESFYXZDFU-TZUZOCNWSA-N |
| Molecular Weight |
299.282 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)[C@@]1(C2(OC(CC1=O)C=C2)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958908 |
![1-Methoxy-2.alpha.-phthalimido-8-oxabicyclo[3.2.1]oct-6-en-3-one](/api/spectrum/GBSc3lgMxFL/structure.png?h=300&w=458 "1-Methoxy-2.alpha.-phthalimido-8-oxabicyclo[3.2.1]oct-6-en-3-one")
