| SpectraBase Spectrum ID |
8rF5v2aaSq1 |
| Name |
1,2-Butane diol dibenzoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
298.120509056 u |
| Formula |
C18H18O4 |
| InChI |
InChI=1S/C18H18O4/c1-2-16(22-18(20)15-11-7-4-8-12-15)13-21-17(19)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3 |
| InChIKey |
CGJPNFOSJVSHDC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
298.338 g/mol |
| SMILES |
c1cccc(C(=O)OC(CC)COC(c2ccccc2)=O)c1 |
| SPLASH |
splash10-0a6r-8900000000-b3b372ecbe2d16aade01 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1762 |
