Isophorone diisocyanate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU506702
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU506702 contains the MS2 mass spectrum of Isophorone diisocyanate with the InChIkey NIMLQBUJDJZYEJ-UHFFFAOYSA-N.
Source: Isophorone diisocyanate
Chemical Info
| InChI | InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C |
| InChI Key | NIMLQBUJDJZYEJ-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O2 |
| Exact Mass | 222.137 g/mol |
There are no views created for this resource yet.
Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 8867b493-b412-4d6b-8d1b-bb048b4360e0 |
| Package id | msbnk-athens_univ-au506702 |
| Resource type | HTML |
| State | active |