| SpectraBase Spectrum ID |
HKNPeUEoP2y |
| Name |
1-Isobutyl-2-pentynyl 4-methylbenzoate |
| Alternate Name(s) |
p-Toluic acid, 2-methyloct-5-yn-4-yl ester
p-Toluylic acid, 2-methyloct-5-yn-4-yl ester
4-Methylbenzoic acid 2-methyloct-5-yn-4-yl ester
1-isobutylpent-2-ynyl 4-methylbenzoate
2-Methyloct-5-yn-4-yl 4-methylbenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-5-6-7-16(12-13(2)3)19-17(18)15-10-8-14(4)9-11-15/h8-11,13,16H,5,12H2,1-4H3 |
| InChIKey |
PQTLGXJSYSXAHQ-UHFFFAOYSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
C(=O)(OC(C#CCC)CC(C)C)c1ccc(C)cc1 |
| SPLASH |
splash10-014i-5910000000-2370d5cc9b6a16e1bef7 |
| Source of Spectrum |
NP-7-6208-0 |
| Wiley ID |
1106675 |
