| SpectraBase Compound ID | D9il3R6xgIs |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-10,17-20H,1-2H3 |
| InChIKey | QLSUUELDMMCCEI-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IcQgK9I22af |
|---|---|
| Name | 3,4-Dehydro-larreatricin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-10,17-20H,1-2H3 |
| InChIKey | QLSUUELDMMCCEI-UHFFFAOYSA-N |
| SMILES | C1(OC(C(=C1C)C)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819235 |