| SpectraBase Compound ID | nK6jArh9Xc |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-12-9(11)6-7-3-5-13-8(7)2-4-10/h3,5H,2,6H2,1H3 |
| InChIKey | XZCPPBUFZOEIGJ-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KBJEQQrlTIN |
|---|---|
| Name | Methyl 2-(Cyanomethyl)furan-3-acetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-12-9(11)6-7-3-5-13-8(7)2-4-10/h3,5H,2,6H2,1H3 |
| InChIKey | XZCPPBUFZOEIGJ-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | c1(c(occ1)CC#N)CC(=O)OC |
| SPLASH | splash10-01b9-0900000000-6a8fa0bc44e60ae23eaa |
| Source of Spectrum | F4-42-3350-26 |
| Wiley ID | 1674841 |