| SpectraBase Spectrum ID |
47aa9Drh7vu |
| Name |
(1R,2S,3R,4S,7S)-3,7-Epoxy-3,4,7-trimethyl-1,2-Isopropylenedioxycycloheptane-5-one |
| Alternate Name(s) |
(1S,2R,6S,7R,8S)-1,4,4,7,8-pentamethyl-3,5,11-trioxatricyclo[5.3.1.0(2,6)]undecan-9-one
3,7-Epoxy-3,4,7-trimethyl-1,2-Isopropylenedioxycycloheptane-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-7-8(14)6-12(4)9-10(13(7,5)17-12)16-11(2,3)15-9/h7,9-10H,6H2,1-5H3/t7-,9-,10+,12+,13-/m1/s1 |
| InChIKey |
UOWNEUMWAXUDAK-HJMIUUFDSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
[C@]12([C@@]3([C@](OC(O3)(C)C)([H])[C@](O1)(C)CC([C@]2(C)[H])=O)[H])C |
| SPLASH |
splash10-0002-9010000000-dc4fcd69ab5b271c6663 |
| Source of Spectrum |
Y1-45-6682-9 |
| Wiley ID |
1622108 |
