| SpectraBase Spectrum ID |
FnL2Zj1IE9y |
| Name |
Succinic 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 |
319.105587265 u |
| Formula |
C16H17NO6 |
| InChI |
InChI=1S/C16H17NO6/c1-3-6-13(4-2)22-15(18)9-10-16(19)23-14-8-5-7-12(11-14)17(20)21/h5,7-8,11,13H,4,9-10H2,1-2H3 |
| InChIKey |
BDCGPQGBSSSLQB-UHFFFAOYSA-N |
| Molecular Weight |
319.313 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919879 |
