| SpectraBase Spectrum ID |
DljlqQfAmeG |
| Name |
Methyl 3-(3',4'-methylenedioxyphenyl)-2-methylglycidate II |
| Classification |
PMK precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.068473481 u |
| Formula |
C12H12O5 |
| InChI |
InChI=1S/C12H12O5/c1-12(11(13)14-2)10(17-12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,6H2,1-2H3/t10-,12-/m1/s1 |
| InChIKey |
NEWFBAYQRLTJTP-ZYHUDNBSSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.223 g/mol |
| Nominal Mass |
236 u |
| Quality |
998 |
| Retention Index |
1750 |
| SMILES |
[C@]1([C@@](C2=CC3=C(C=C2)OCO3)(O1)[H])(C(OC)=O)C |
| SPLASH |
splash10-014i-3900000000-447b340119d764f5574d |
| Sample Comments |
Stereoconfiguration unknown |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
PMK glycidate II
methyl (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017629 |
