| SpectraBase Spectrum ID |
A10XEdBGqIS |
| Name |
(5S,6R)-6-Butyl-5-hydroxy-2-methyl-5,6-dihydro-4H-pyran-3-carboxylic acid ethyl ester |
| Alternate Name(s) |
(trans)-2-Butyl-3-hydroxy-5-(ethoxycarbonyl)-6-methyl-3,4-dihydro-2H-pyran |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-4-6-7-12-11(14)8-10(9(3)17-12)13(15)16-5-2/h11-12,14H,4-8H2,1-3H3/t11-,12+/m0/s1 |
| InChIKey |
GHCXPNVPVMYWCY-NWDGAFQWSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
O[C@@]1([C@](CCCC)([H])OC(=C(C1)C(=O)OCC)C)[H] |
| SPLASH |
splash10-0006-9010000000-3f79ddf80914f80128cf |
| Source of Spectrum |
C-126-9655-9b |
| Wiley ID |
1701351 |
