| SpectraBase Spectrum ID |
1DimKMr5jxA |
| Name |
(4aS,15aR)-2,3,4,4a,6,7,8,11,12,13,15,15a-Dodecahydro-1,5,14-trioxabenzocyclotridecene |
| Alternate Name(s) |
(4aS,15aR)-2H,3H,4H,4aH,6H,7H,8H,11H,12H,13H,15H,15aH-pyrano[3,2-b]1,5-dioxacyclotridecane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H24O3 |
| InChI |
InChI=1S/C14H24O3/c1-2-4-6-10-16-13-8-7-11-17-14(13)12-15-9-5-3-1/h1-2,13-14H,3-12H2/b2-1-/t13-,14+/m0/s1 |
| InChIKey |
BSILTHQSUMNGJS-CIKQRIOISA-N |
| Molecular Weight |
240.343 g/mol |
| SMILES |
[C@]12([C@@](COCCC\C=C/CCCO2)(OCCC1)[H])[H] |
| SPLASH |
splash10-0006-0290000000-8160066a72c664c50ede |
| Source of Spectrum |
J-64-4814-46 |
| Wiley ID |
1530576 |
