| SpectraBase Spectrum ID |
870Qz4uqnAV |
| Name |
Benzonitrile, 4-(1,3-dihydroxy-2-nitropropyl)-, (R*,R*)-(.+-.)- |
| CAS Registry Number |
96040-18-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10N2O4 |
| InChI |
InChI=1S/C10H10N2O4/c11-5-7-1-3-8(4-2-7)10(14)9(6-13)12(15)16/h1-4,9-10,13-14H,6H2 |
| InChIKey |
YQXCLENMKPAODU-UHFFFAOYSA-N |
| Molecular Weight |
222.200 g/mol |
| SMILES |
OC(C(CO)N(=O)=O)c1ccc(cc1)C#N |
| SPLASH |
splash10-0f89-3900000000-3b001ecece4720487fe0 |
| Source of Spectrum |
C-107-3605-0 |
| Synonyms |
4-(1,3-Dihydroxy-2-nitropropyl)benzonitrile
4-[2-nitro-1,3-bis(oxidanyl)propyl]benzenecarbonitrile |
| Wiley ID |
1221844 |
