| SpectraBase Spectrum ID |
5Z2zdPPX80u |
| Name |
Cyclohexylisocyanate |
| CAS Registry Number |
3173-53-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
125.084063977 u |
| Formula |
C7H11NO |
| InChI |
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 |
| InChIKey |
KQWGXHWJMSMDJJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
125.171 g/mol |
| Nominal Mass |
125 u |
| Quality |
996 |
| Retention Index |
970 |
| SMILES |
C1(CCCCC1)N=C=O |
| SPLASH |
splash10-014m-9000000000-622389d5337dd9c0bbfd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
URB-597 artifact
isocyanatocyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016339 |
