| SpectraBase Compound ID | 1WXGJ1S94RH |
|---|---|
| InChI | InChI=1S/C9H8O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h2-6H,1H3 |
| InChIKey | LHNAQEXSJHISJD-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1SRFayPjRA |
|---|---|
| Name | 2-(Methoxycarbonyl)cycloheptatrienone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h2-6H,1H3 |
| InChIKey | LHNAQEXSJHISJD-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C=1(C(=O)OC)C(C=CC=CC1)=O |
| SPLASH | splash10-0a6r-5900000000-b4abe75a4934f639170e |
| Source of Spectrum | C-108-6712-8 |
| Synonyms | Methyl 7-oxo-1,3,5-cycloheptatriene-1-carboxylate |
| Wiley ID | 1160092 |