Vanillyl alcohol

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Systematic / IUPAC Name: 4-(Hydroxymethyl)-2-methoxyphenol

ID: Reference6572

Other Names: Vanillic alcohol;
Vanillin alcohol;
Vanillol;
3-Methoxy-4-hydroxybenzyl alcohol;
4-(Hydroxymethyl)-2-methoxy-phenol ; more

Formula: C8H10O3

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Vanillyl alcohol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 300
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/19/2017 11:56:06 AM
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Identificators

InChI InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChI Key ZENOXNGFMSCLLL-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)CO)O
CAS 498000
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Other Names Vanillic alcohol;
Vanillin alcohol;
Vanillol;
3-Methoxy-4-hydroxybenzyl alcohol;
4-(Hydroxymethyl)-2-methoxy-phenol;
4-Hydroxy-3-methoxybenzenemethanol;
4-Hydroxy-3-methoxybenzyl alcohol;
4-Hydroxy-3-methoxyphenyl methanol;
4-Hydroxymethyl-2-methoxy-phenol;
Benzenemethanol, 4-hydroxy-3-methoxy-

In Other Databases

KEGG C06317
HMDb HMDB32012
PubChem 62348
ChEBI CHEBI:18353
ChemIDPlus 000498000
Wikipedia Vanillyl alcohol
ChemSpider 56139