| SpectraBase Spectrum ID |
8F5HWepo30s |
| Name |
1-Butyn-1-ol, 3,3-dimethyl-, 4-nitrobenzoate |
| Alternate Name(s) |
3,3-Dimethyl-1-butynyl 4-nitrobenzoate
3,3-Dimethylbutynyl p-nitrobenzoate |
| CAS Registry Number |
113779-43-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-13(2,3)8-9-18-12(15)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3H3 |
| InChIKey |
WOKKTFWDARTRMH-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
c1(N(=O)=O)ccc(C(=O)OC#CC(C)(C)C)cc1 |
| SPLASH |
splash10-0udi-0900000000-9b110ec44181d3a5482b |
| Source of Spectrum |
C-110-3274-6 |
| Wiley ID |
1249932 |
