| SpectraBase Spectrum ID |
L5N0jT8p45S |
| Name |
1,3-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/c1-14(22-18(20)16-10-6-3-7-11-16)12-13-21-17(19)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3 |
| InChIKey |
HVWZDMVPWXVEBP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
298.338 g/mol |
| SMILES |
c1cc(ccc1)C(=O)OC(C)CCOC(c1ccccc1)=O |
| SPLASH |
splash10-0a6r-8900000000-9b1d18deeb614113c79d |
| 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_1763 |
