| SpectraBase Spectrum ID |
9Q0TDVFrcvP |
| Name |
BDB intermediate-1 AC @ |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-3-4-11(17-9(2)14)10-5-6-12-13(7-10)16-8-15-12/h5-7,11H,3-4,8H2,1-2H3 |
| InChIKey |
SKTAXJVKOBDLFR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.267 g/mol |
| SMILES |
c1cc(C(OC(C)=O)CCC)cc2OCOc12 |
| SPLASH |
splash10-0udr-2900000000-d3296b2c2411b3079d7e |
| 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 |
MBDB intermediate-3 AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3294 |
