| SpectraBase Spectrum ID |
9Ya6VtqhBDI |
| Name |
Glutaric acid, 1-(3-bromophenyl)ethyl 2-methylhex-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.124922410 u |
| Formula |
C20H29BrO4 |
| InChI |
InChI=1S/C20H29BrO4/c1-5-8-18(14(2)3)25-20(23)12-7-11-19(22)24-15(4)16-9-6-10-17(21)13-16/h6,9-10,13-15,18H,5,7-8,11-12H2,1-4H3 |
| InChIKey |
WHIASSSIXPZPSO-UHFFFAOYSA-N |
| Molecular Weight |
413.352 g/mol |
| SMILES |
C(OC(C)C1=CC=CC(=C1)Br)(=O)CCCC(OC(CCC)C(C)C)=O |
