| SpectraBase Spectrum ID |
3TZ3QIMECew |
| Name |
methyl 4-(1,3-dioxepan-2-yl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-15-12(14)10-4-6-11(7-5-10)13-16-8-2-3-9-17-13/h4-7,13H,2-3,8-9H2,1H3 |
| InChIKey |
XNWUBKXTDOPGGS-UHFFFAOYSA-N |
| Instrument Name |
DSQ |
| Molecular Weight |
236.267 g/mol |
| SMILES |
COC(=O)c1ccc(C2OCCCCO2)cc1 |
| SPLASH |
splash10-0bwa-3910000000-7a34b68276cfbf4adc3d |
| Source of Spectrum |
Adam Howard, James Little, Mass Spec Interpretation Services, Kingsport, TN, December 2022. |
| Wiley ID |
1890353 |
