| SpectraBase Spectrum ID |
Dl45vbTpFYm |
| Name |
Benzene,1-chloro-4-isocyanato |
| CAS Registry Number |
104-12-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
152.998141452 u |
| Formula |
C7H4ClNO |
| InChI |
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey |
ADAKRBAJFHTIEW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
153.568 g/mol |
| Nominal Mass |
153 u |
| Quality |
968 |
| Retention Index |
1111 |
| SMILES |
C1(=CC=C(C=C1)Cl)N=C=O |
| SPLASH |
splash10-0udi-8900000000-9d2656b135d7df7cbeed |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-chloro-4-isocyanatobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010456 |
