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5-Hydroxymethylmellein

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkdyAAtt0R6
Name 5-Hydroxymethylmellein
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1ccc(CO)c2c1C(O[C@@](C2)(C)[H])=O
SPLASH splash10-0a4i-0980000000-18d53e2d24bd21e43b5c
Source of Spectrum QA-52-839-36
Synonyms (R)-8-hydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
Wiley ID 1796147