| SpectraBase Spectrum ID |
5uhSeMNSCzV |
| Name |
IOXYNIL-OCTANOATE |
| CAS Registry Number |
3861-47-0 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
496.934868789 u |
| Formula |
C15H17I2NO2 |
| InChI |
InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3 |
| InChIKey |
QBEXFUOWUYCXNI-UHFFFAOYSA-N |
| Molecular Weight |
497.115 g/mol |
| Nominal Mass |
497 u |
| Number of Peaks |
104 |
| SMILES |
C(c1cc(c(c(c1)I)OC(CCCCCCC)=O)I)#N |
| SPLASH |
splash10-0a4i-9300000000-536ebbfe258d39de1533 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
4-cyano-2,6-diiodophenyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3923 |
