SpectraBase Spectrum ID |
3LYgTm48CO5 |
Name |
4-[(2R,3R,4R,5R)-5-(4-Hydroxy-phenyl)-3,4-dimethyl-tetrahydro-furan-2-yl]-benzene-1,2-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
300.136159120 u |
Formula |
C18H20O4 |
InChI |
InChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3/t10-,11-,17-,18-/m1/s1 |
InChIKey |
HKSHEXWQPGOEAT-LWCUXCJMSA-N |
Molecular Weight |
300.354 g/mol |
SMILES |
[C@@]1(O[C@]([C@@]([C@]1(C)[H])(C)[H])(C=1C=CC(=CC1)O)[H])(C=1C=C(O)C(=CC1)O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872471 |