| SpectraBase Spectrum ID |
H2tB3jvXH6p |
| Name |
1-Isobutyl-2-pentynyl 3-methylbenzoate |
| Alternate Name(s) |
m-Toluic acid, 2-methyloct-5-yn-4-yl ester
m-Toluylic acid, 2-methyloct-5-yn-4-yl ester
3-Methylbenzoic acid 2-methyloct-5-yn-4-yl ester
1-isobutylpent-2-ynyl 3-methylbenzoate
2-Methyloct-5-yn-4-yl 3-methylbenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-5-6-10-16(11-13(2)3)19-17(18)15-9-7-8-14(4)12-15/h7-9,12-13,16H,5,11H2,1-4H3 |
| InChIKey |
DKRVMIVDFAYXSX-UHFFFAOYSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
C(=O)(OC(C#CCC)CC(C)C)c1cccc(C)c1 |
| SPLASH |
splash10-014i-4900000000-79a3c3bd4f384a1261bc |
| Source of Spectrum |
NP-7-6207-0 |
| Wiley ID |
1106674 |
