| SpectraBase Spectrum ID |
Doc1f2XKNe4 |
| Name |
Methyl-3-(3,4-methylenedioxyphenyl)-2-methylglycidate |
| Classification |
PMK precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| 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-PWSUYJOCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.223 g/mol |
| Nominal Mass |
236 u |
| Quality |
999 |
| Retention Index |
1659 |
| SMILES |
[C@@]1([C@@](C2=CC3=C(C=C2)OCO3)(O1)[H])(C(OC)=O)C |
| SPLASH |
splash10-014i-3900000000-04dffdc99a757c71fcb8 |
| Sample Comments |
Stereoconfiguration unknown |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-MDP-2P glycidate
methyl (2S,3R)-3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017628 |
