| SpectraBase Spectrum ID |
D7zri18JbzP |
| Name |
Butesin picrate in kbr |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
615.217656892 u |
| Formula |
C28H33N5O11 |
| InChI |
InChI=1S/2C11H15NO2.C6H3N3O7/c2*1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2*4-7H,2-3,8,12H2,1H3;1-2,10H |
| InChIKey |
ATAGSVCDFKGYPE-UHFFFAOYSA-N |
| Molecular Weight |
615.596 g/mol |
| SMILES |
OC=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O.NC=1C=CC(=CC1)C(=O)OCCCC.NC=1C=CC(=CC1)C(=O)OCCCC |
