| SpectraBase Spectrum ID |
AkH9l4sq9XD |
| Name |
Heptanoic acid, 2-(1,1-dimethylethyl)-5-methyl-4-(1-methylethyl)phenyl ester |
| Alternate Name(s) |
2-(1,1-Dimethylethyl)-5-methyl-4-(1-methylethyl)phenyl heptanoate
2-tert-butyl-4-isopropyl-5-methylphenyl heptanoate
heptanoic acid (2-tert-butyl-5-methyl-4-propan-2-ylphenyl) ester
(2-tert-butyl-5-methyl-4-propan-2-ylphenyl) heptanoate
(2-tert-butyl-4-isopropyl-5-methyl-phenyl) heptanoate
(2-tert-butyl-5-methyl-4-propan-2-yl-phenyl) heptanoate |
| CAS Registry Number |
129375-09-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-8-9-10-11-12-20(22)23-19-13-16(4)17(15(2)3)14-18(19)21(5,6)7/h13-15H,8-12H2,1-7H3 |
| InChIKey |
QPXHRKFCQJKADO-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
c1(c(cc(c(c1)C)C(C)C)C(C)(C)C)OC(=O)CCCCCC |
| SPLASH |
splash10-0006-0901000000-96f7c8ab6acfa1c0f4cf |
| Source of Spectrum |
AH-121-234-23 |
| Wiley ID |
1319012 |
