SpectraBase Spectrum ID |
GXhJK4tMFvs |
Name |
1-Methoxy-3-methylbenzene |
CAS Registry Number |
100-84-5 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
122.073164941 u |
Formula |
C8H10O |
InChI |
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3 |
InChIKey |
OSIGJGFTADMDOB-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
122.167 g/mol |
Nominal Mass |
122 u |
Quality |
957 |
Retention Index |
894 |
SMILES |
C1(=CC(=CC=C1)C)OC |
SPLASH |
splash10-0096-9400000000-cd05cc736ba7cd7cb8f1 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-methoxy-3-methylbenzene |
Technique |
GC/MS |
Wiley ID |
DD2024_006743 |