| SpectraBase Compound ID | 3NSaLjKAjwK |
|---|---|
| InChI | InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2 |
| InChIKey | XTYOTPBIDRGAML-UHFFFAOYSA-N |
| Mol Weight | 167.59 g/mol |
| Molecular Formula | C8H6ClNO |
| Exact Mass | 167.013792 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7B4xQwuGB19 |
|---|---|
| Name | 1-(chloromethyl)-2-isocyanato-benzene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6ClNO |
| InChI | InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2 |
| InChIKey | XTYOTPBIDRGAML-UHFFFAOYSA-N |
| Molecular Weight | 167.595 g/mol |
| SMILES | c1(c(cccc1)CCl)N=C=O |
| SPLASH | splash10-001i-0900000000-159693c5d688f1a45961 |
| Source of Spectrum | SO-1978-377-2 |
| Wiley ID | 1537095 |