| SpectraBase Spectrum ID |
DnqU5XoRenQ |
| Name |
Isophoron-diisocyanate |
| CAS Registry Number |
4098-71-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.121177761 u |
| Formula |
C11H16N2O2 |
| InChI |
InChI=1S/C11H16N2O2/c1-10(2)4-9(12-7-14)5-11(3,6-10)13-8-15/h9H,4-6H2,1-3H3 |
| InChIKey |
XIIHTVOIRWYVJC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.261 g/mol |
| Nominal Mass |
208 u |
| Quality |
994 |
| Retention Index |
1626 |
| SMILES |
C1C(CC(CC1(C)C)N=C=O)(N=C=O)C |
| SPLASH |
splash10-03k9-8900000000-067e83f6f6ef4b9acc23 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,5-diisocyanato-1,3,3-trimethylcyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026597 |
