| SpectraBase Spectrum ID |
Dni7G701xtg |
| Name |
1,4-Butandiol dibenzoate |
| CAS Registry Number |
19224-27-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
298.120509056 u |
| Formula |
C18H18O4 |
| InChI |
InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| InChIKey |
YHOWYTOWCBNTHB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
298.338 g/mol |
| Nominal Mass |
298 u |
| Quality |
986 |
| Retention Index |
2364 |
| SMILES |
C=1(C(OCCCCOC(C=2C=CC=CC2)=O)=O)C=CC=CC1 |
| SPLASH |
splash10-0a4i-8900000000-d826f7d9606b56470d79 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,4-Butylenglycol dibenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009036 |
