For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-Hydroxymethylmellein

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Hydroxymethylmellein
SpectraBase Compound ID 2QZTlOp7LD4
InChI InChI=1S/C11H12O4/c1-6-4-8-7(5-12)2-3-9(13)10(8)11(14)15-6/h2-3,6,12-13H,4-5H2,1H3/t6-/m1/s1
InChIKey OALPOISXSLLKCP-ZCFIWIBFSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A9XLltmRr0F
Name 5-Hydroxymethylmellein
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-6-4-8-7(5-12)2-3-9(13)10(8)11(14)15-6/h2-3,6,12-13H,4-5H2,1H3/t6-/m1/s1
InChIKey OALPOISXSLLKCP-ZCFIWIBFSA-N
Molecular Weight 208.213 g/mol
SMILES C1=C(C2=C(C(=C1)O)C(O[C@@](C2)(C)[H])=O)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887923