| SpectraBase Spectrum ID |
G77l5cuYQ3H |
| Name |
1-Allyl-1-ethynyl-3,3-dimethylpen-4-enyl 4'-Nitrobenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-6-13-19(8-3,14-18(4,5)7-2)24-17(21)15-9-11-16(12-10-15)20(22)23/h3,6-7,9-12H,1-2,13-14H2,4-5H3 |
| InChIKey |
JCBNDDFLMLWMGG-UHFFFAOYSA-N |
| Molecular Weight |
327.380 g/mol |
| SMILES |
c1(N(=O)=O)ccc(C(OC(C#C)(CC(C=C)(C)C)CC=C)=O)cc1 |
| SPLASH |
splash10-0udi-0900000000-2d6d47a7e2f171289d13 |
| Source of Spectrum |
K1-0-4627-1 |
| Wiley ID |
1589699 |
