| SpectraBase Compound ID | ES5X4GU4EiV |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3 |
| InChIKey | KNYDWDHLGFMGCO-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7WC7yrtqH9k |
|---|---|
| Name | 1-(isocyanatomethyl)-4-methylbenzene |
| Alternate Name(s) | Benzene, 1-isocyanatomethyl-4-methyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3 |
| InChIKey | KNYDWDHLGFMGCO-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | c1c(ccc(C)c1)CN=C=O |
| SPLASH | splash10-0kav-9600000000-7c68a0a2539e8e14ad43 |
| Wiley ID | 1447962 |