SpectraBase Spectrum ID |
GVFQpJLlaHQ |
Name |
3'-Methoxyphenyl-2-propanone |
CAS Registry Number |
3027-13-2 |
Classification |
Designer drug precursor |
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 |
164.083729624 u |
Formula |
C10H12O2 |
InChI |
InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3 |
InChIKey |
RMMRRRLPDBJBQL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
164.204 g/mol |
Nominal Mass |
164 u |
Quality |
909 |
Retention Index |
1191 |
SMILES |
C=1(C=C(C=CC1)OC)CC(=O)C |
SPLASH |
splash10-006x-9600000000-896b9c3152f868e3b059 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-methoxyphenyl-2-propanone
1-(3-methoxyphenyl)propan-2-one |
Technique |
GC/MS |
Wiley ID |
DD2024_002053 |