| SpectraBase Spectrum ID |
GwqQtZnlpBA |
| Name |
BDB intermediate-3 @ |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3 |
| InChIKey |
SWKXHWCUDGJLNA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.214 g/mol |
| SMILES |
c1cc(CC(CC)=O)cc2OCOc12 |
| SPLASH |
splash10-000i-6900000000-e66535338aa8a70d0a8b |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
BDB intermediate-3 (benzodioxol-5-yl)-butan-2-one)
MBDB intermediate-2 (benzodioxol-5-yl)-butan-2-one) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3292 |
