| SpectraBase Spectrum ID |
BmKZHAQqv8S |
| Name |
3-(((2-ethylhexyl)oxy)methyl)-2H-benzo[E][1,4]dioxepin-5(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-3-5-8-14(4-2)11-20-12-15-13-21-17-10-7-6-9-16(17)18(19)22-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3 |
| InChIKey |
AUSOHNQTFAJUTK-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=CC=C2C(C(=O)OC(CO2)COCC(CCCC)CC)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923479 |
![3-(((2-Ethylhexyl)oxy)methyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one](/api/spectrum/BmKZHAQqv8S/structure.png?h=300&w=458 "3-(((2-Ethylhexyl)oxy)methyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one")
