| SpectraBase Spectrum ID |
KQZZvHsQPSk |
| Name |
1,3-Butanediol, 2-(3-methyl-2-butenyl)-, 1-benzoate, [R-(R*,S*)]- |
| CAS Registry Number |
81757-13-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-12(2)9-10-15(13(3)17)11-19-16(18)14-7-5-4-6-8-14/h4-9,13,15,17H,10-11H2,1-3H3/t13-,15+/m1/s1 |
| InChIKey |
LTFZTYIZLOXKRI-HIFRSBDPSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
O[C@@]([C@](COC(=O)c1ccccc1)(CC=C(C)C)[H])(C)[H] |
| SPLASH |
splash10-0a59-9400000000-b4bac5d56118771c3e5e |
| Source of Spectrum |
H-65-298-0 |
| Synonyms |
(2S)-2-[(1R)-1-hydroxyethyl]-5-methyl-4-hexenyl benzoate
(2S,1'R)-[2-(1'hydroxyethyl)-5-methyl-4-hexenyl]ester of benzoic acid |
| Wiley ID |
1266110 |
![1,3-Butanediol, 2-(3-methyl-2-butenyl)-, 1-benzoate, [R-(R*,S*)]-](/api/spectrum/KQZZvHsQPSk/structure.png?h=300&w=458 "1,3-Butanediol, 2-(3-methyl-2-butenyl)-, 1-benzoate, [R-(R*,S*)]-")
