| SpectraBase Spectrum ID |
DHYXeJtpi3q |
| Name |
Seco-4-hydroxy-lintetralin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.199153299 u |
| Formula |
C23H30O7 |
| InChI |
InChI=1S/C23H30O7/c1-25-12-17(11-24)18(13-26-2)23(15-5-7-19(27-3)21(9-15)28-4)16-6-8-20-22(10-16)30-14-29-20/h5-10,17-18,23-24H,11-14H2,1-4H3/t17-,18-,23+/m0/s1 |
| InChIKey |
UWEDYLSKYCGNOV-IUKKYPGJSA-N |
| Molecular Weight |
418.486 g/mol |
| SMILES |
C=12OCOC1C=CC(=C2)[C@@](C=1C=C(OC)C(=CC1)OC)([C@]([C@@](CO)(COC)[H])(COC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973956 |
