| SpectraBase Spectrum ID |
4plCLMuwfeO |
| Name |
(-)-trans-3,4-divanillyltetrahydrofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.162373868 u |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 |
| InChIKey |
ROGUIJKVZZROIQ-HOTGVXAUSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
C=1(O)C=CC(=CC1OC)C[C@]1(COC[C@@]1(CC1=CC(OC)=C(O)C=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936767 |
