| SpectraBase Spectrum ID |
FP2W297cKzc |
| Name |
Glutaric acid, hex-4-yn-3-yl 3-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.121237330 u |
| Formula |
C17H19NO6 |
| InChI |
InChI=1S/C17H19NO6/c1-3-7-14(4-2)23-16(19)10-6-11-17(20)24-15-9-5-8-13(12-15)18(21)22/h5,8-9,12,14H,4,6,10-11H2,1-2H3 |
| InChIKey |
MBBHEXSCJYOELS-UHFFFAOYSA-N |
| Molecular Weight |
333.340 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911804 |
