| SpectraBase Spectrum ID |
JvsDHul7tnV |
| Name |
1-Methallyl-1-ethynyl-3,3-dimethylpen-4-enyl 4'-Nitrobenzoate |
| Alternate Name(s) |
4-nitrobenzoic acid (4-ethynyl-2,6,6-trimethylocta-1,7-dien-4-yl) ester
(4-ethynyl-2,6,6-trimethylocta-1,7-dien-4-yl) 4-nitrobenzoate
[1-ethynyl-3,3-dimethyl-1-(2-methylallyl)pent-4-enyl] 4-nitrobenzoate
(4-ethynyl-2,6,6-trimethyl-octa-1,7-dien-4-yl) 4-nitrobenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-7-19(5,6)14-20(8-2,13-15(3)4)25-18(22)16-9-11-17(12-10-16)21(23)24/h2,7,9-12H,1,3,13-14H2,4-6H3 |
| InChIKey |
LUROAROQUHKCSK-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
c1(N(=O)=O)ccc(C(OC(C#C)(CC(=C)C)CC(C=C)(C)C)=O)cc1 |
| SPLASH |
splash10-0udi-0900000000-95de1b257a10ab72e10e |
| Source of Spectrum |
K1-0-4627-1 |
| Wiley ID |
1589698 |
