| SpectraBase Compound ID | F5sOd5EsZJp |
|---|---|
| InChI | InChI=1S/C6H7NO3/c1-10-6(9)3-2-4-7-5-8/h2-3H,4H2,1H3/b3-2- |
| InChIKey | UDFBUNHAYWXWGL-IHWYPQMZSA-N |
| Mol Weight | 141.13 g/mol |
| Molecular Formula | C6H7NO3 |
| Exact Mass | 141.042593 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7dClHiDWpVD |
|---|---|
| Name | 2-Butenoic acid, 4-isocyanato-, methyl ester, (E)- |
| CAS Registry Number | 104715-42-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7NO3 |
| InChI | InChI=1S/C6H7NO3/c1-10-6(9)3-2-4-7-5-8/h2-3H,4H2,1H3/b3-2- |
| InChIKey | UDFBUNHAYWXWGL-IHWYPQMZSA-N |
| Molecular Weight | 141.126 g/mol |
| SMILES | C(N=C=O)\C=C/C(=O)OC |
| SPLASH | splash10-0f80-9400000000-edd996be11385f3ad7b2 |
| Source of Spectrum | J-53-3667-17 |
| Wiley ID | 1140120 |