SpectraBase Spectrum ID |
2ku461n1M12 |
Name |
Meconin |
CAS Registry Number |
569-31-3 |
Classification |
Opium ingredient |
Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
194.057908798 u |
Formula |
C10H10O4 |
InChI |
InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3 |
InChIKey |
ORFFGRQMMWVHIB-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
194.186 g/mol |
Nominal Mass |
194 u |
Quality |
992 |
Retention Index |
1438 |
SMILES |
C1=2C(=C(C=CC2COC1=O)OC)OC |
SPLASH |
splash10-01dm-5900000000-705e6cb0ff045c309be6 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Meconine
Mekonin
6,7-Dimethoxy-3H-isobenzofuran-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_024578 |