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

*Links on SpectraBase are not permalinks.
1,3,5-Trimethoxybenzene
SpectraBase Compound ID F3aLozrjWeN
InChI InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChIKey LKUDPHPHKOZXCD-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4dxx7LGRQO
Name 1,3,5-Trimethoxybenzene
CAS Registry Number 621-23-8
Classification Pharmaceutical drug, antispasmodic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 168.078644243 u
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChIKey LKUDPHPHKOZXCD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 168.192 g/mol
Nominal Mass 168 u
Quality 980
Retention Index 1394
SMILES C1(OC)=CC(OC)=CC(OC)=C1
SPLASH splash10-014r-6900000000-5be00338c065dbc17d38
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phloroglucinol trimethyl ether
Technique GC/MS
Wiley ID DD2024_007558