| SpectraBase Spectrum ID |
CBsaLVfGtGt |
| Name |
Isopentyl 4-nitrobenzoate |
| Alternate Name(s) |
1-Butanol, 3-methyl-, 4-nitrobenzoate
4-Nitrobenzoic acid, 3-methylbutyl ester
4-Nitrobenzoic acid 3-methylbutyl ester
3-Methylbutyl 4-nitrobenzoate |
| CAS Registry Number |
38120-06-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NO4 |
| InChI |
InChI=1S/C12H15NO4/c1-9(2)7-8-17-12(14)10-3-5-11(6-4-10)13(15)16/h3-6,9H,7-8H2,1-2H3 |
| InChIKey |
KMOODDWVCAWHMC-UHFFFAOYSA-N |
| Molecular Weight |
237.255 g/mol |
| SMILES |
c1cc(C(OCCC(C)C)=O)ccc1N(=O)=O |
| SPLASH |
splash10-0uk9-9800000000-f885246dc48adc41016d |
| Source of Spectrum |
NP-6-3130-0 |
| Wiley ID |
1105627 |
