![1-Aza-8-oxabicyclo[4.3.0]non-3-en-2-one, 5-(benzoyloxy)-9,9-dimethyl-](/api/spectrum/7x6O0eVQ980/structure.png?h=300&w=458 "1-Aza-8-oxabicyclo[4.3.0]non-3-en-2-one, 5-(benzoyloxy)-9,9-dimethyl-")
| SpectraBase Compound ID | GuwkloJN2q7 |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-16(2)17-12(10-20-16)13(8-9-14(17)18)21-15(19)11-6-4-3-5-7-11/h3-9,12-13H,10H2,1-2H3 |
| InChIKey | JTUSGHSLSIEDCO-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7x6O0eVQ980 |
|---|---|
| Name | 1-Aza-8-oxabicyclo[4.3.0]non-3-en-2-one, 5-(benzoyloxy)-9,9-dimethyl- |
| CAS Registry Number | 168772-36-9 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c1-16(2)17-12(10-20-16)13(8-9-14(17)18)21-15(19)11-6-4-3-5-7-11/h3-9,12-13H,10H2,1-2H3 |
| InChIKey | JTUSGHSLSIEDCO-UHFFFAOYSA-N |
| Molecular Weight | 287.315 g/mol |
| SMILES | CC1(N2C(C=CC(C2CO1)OC(=O)c1ccccc1)=O)C |
| SPLASH | splash10-0a4i-4920000000-315b6d01784b08553c9c |
| Synonyms | (3,3-dimethyl-5-oxidanylidene-8,8a-dihydro-1H-[1,3]oxazolo[3,4-a]pyridin-8-yl) benzoate (3,3-dimethyl-5-oxo-8,8a-dihydro-1H-oxazolo[3,4-a]pyridin-8-yl) benzoate (3,3-dimethyl-5-oxo-8,8a-dihydro-1H-[1,3]oxazolo[3,4-a]pyridin-8-yl) benzoate 3,3-Dimethyl-5-oxo-1,5,8,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-8-yl benzoate benzoic acid (3,3-dimethyl-5-oxo-8,8a-dihydro-1H-oxazolo[3,4-a]pyridin-8-yl) ester benzoic acid (5-keto-3,3-dimethyl-8,8a-dihydro-1H-oxazolo[3,4-a]pyridin-8-yl) ester |
| Wiley ID | 1491676 |