| SpectraBase Spectrum ID |
CRa70P3kk09 |
| Name |
1,2-Pentadien-1-ol, 3-methyl-, 4-nitrobenzoate |
| Alternate Name(s) |
3-Methyl-1,2-pentadienyl 4-nitrobenzoate
3-Methylpenta-1,2-dienyl 4-nitrobenzoate
4-Nitrobenzoic acid 3-methylpenta-1,2-dienyl ester |
| CAS Registry Number |
56009-22-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-3-10(2)8-9-18-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,9H,3H2,1-2H3 |
| InChIKey |
VDKMMAMJIJZVFY-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
CCC(C)=C=COC(c1ccc(cc1)N(=O)=O)=O |
| SPLASH |
splash10-0udi-2940000000-c6d15faf5c4eaa023161 |
| Source of Spectrum |
H-56-907-14 |
| Wiley ID |
1249922 |
