| SpectraBase Spectrum ID |
2Pri0GIU4p9 |
| Name |
1-Pentyn-3-ol, 3-methyl-, 4-nitrobenzoate |
| Alternate Name(s) |
1-Ethyl-1-methyl-2-propynyl 4-nitrobenzoate
(1-ethyl-1-methyl-prop-2-ynyl) 4-nitrobenzoate
3-Methylpent-1-yn-3-yl 4-nitrobenzoate
4-Nitrobenzoic acid (1-ethyl-1-methyl-prop-2-ynyl) ester
4-Nitrobenzoic acid 3-methylpent-1-yn-3-yl ester |
| CAS Registry Number |
56009-23-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-4-13(3,5-2)18-12(15)10-6-8-11(9-7-10)14(16)17/h1,6-9H,5H2,2-3H3 |
| InChIKey |
BMYYHJWJYBIWKL-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
CCC(C)(C#C)OC(c1ccc(cc1)N(=O)=O)=O |
| SPLASH |
splash10-0udi-7910000000-8dcb69c7bcb223da7134 |
| Source of Spectrum |
H-56-906-13 |
| Wiley ID |
1249921 |
