| SpectraBase Spectrum ID |
JEzmsNNYqaZ |
| Name |
1-Isobutyl-2-pentynyl 2-methylbenzoate |
| Alternate Name(s) |
o-Toluic acid, 2-methyloct-5-yn-4-yl ester
o-Toluylic acid, 2-methyloct-5-yn-4-yl ester
2-Methylbenzoic acid 2-methyloct-5-yn-4-yl ester
1-isobutylpent-2-ynyl 2-methylbenzoate
2-Methyloct-5-yn-4-yl 2-methylbenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-5-6-10-15(12-13(2)3)19-17(18)16-11-8-7-9-14(16)4/h7-9,11,13,15H,5,12H2,1-4H3 |
| InChIKey |
KSYYDHHACWSADT-UHFFFAOYSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
C(=O)(OC(C#CCC)CC(C)C)c1c(C)cccc1 |
| SPLASH |
splash10-014i-3900000000-a618de8c3e4a763d30c8 |
| Source of Spectrum |
NP-7-6209-0 |
| Wiley ID |
1106676 |
