| SpectraBase Spectrum ID |
9g16Xg2g4IC |
| Name |
Pinostrobin, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.099773610 u |
| Formula |
C18H16O5 |
| InChI |
InChI=1S/C18H16O5/c1-11(19)22-16-8-13(21-2)9-17-18(16)14(20)10-15(23-17)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3/t15-/m0/s1 |
| InChIKey |
NVJGDFWZVKIHSX-HNNXBMFYSA-N |
| SMILES |
C1(=CC(=C2C(C[C@](OC2=C1)(C1=CC=CC=C1)[H])=O)OC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953872 |
