| SpectraBase Spectrum ID |
7ezpAmvt3zq |
| Name |
(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,8.alpha.)-3,6-dioxa-9-thiatetracyclo[6.1.0.0(2,4).0(5,7)]-nonane |
| Alternate Name(s) |
(1R,2S,4S,5R,7R,8S)-3,6-dioxa-9-thiatetracyclo[6.1.0.0(2,4).0(5,7)]nonane |
| CAS Registry Number |
54308-05-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H6O2S |
| InChI |
InChI=1S/C6H6O2S/c7-1-2-4(8-2)6-5(9-6)3(1)7/h1-6H/t1-,2+,3-,4+,5+,6- |
| InChIKey |
KHJHBBIWIOEPNW-XBQGMCBBSA-N |
| Molecular Weight |
142.172 g/mol |
| SMILES |
[C@@]12([C@]([C@]3(O[C@]3([C@@]3([C@]2(O3)[H])[H])[H])[H])([H])S1)[H] |
| SPLASH |
splash10-0005-9600000000-f643299ea0395a6de4e6 |
| Source of Spectrum |
K-121-750-19 |
| Wiley ID |
1140618 |
![(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,8.alpha.)-3,6-dioxa-9-thiatetracyclo[6.1.0.0(2,4).0(5,7)]-nonane](/api/spectrum/7ezpAmvt3zq/structure.png?h=300&w=458 "(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,8.alpha.)-3,6-dioxa-9-thiatetracyclo[6.1.0.0(2,4).0(5,7)]-nonane")
