| SpectraBase Spectrum ID |
HK2EgEDPwmH |
| Name |
(1S,5S)-Spiro[1,5-benzodithiepane-3,7'-[3'-(benzyloxycarbonyl)-[3]aza[6,8]dioxabicyclo[3.3.0]octane] 1,5-dioxide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO6S2 |
| InChI |
InChI=1S/C21H21NO6S2/c23-20(26-12-15-6-2-1-3-7-15)22-10-16-17(11-22)28-21(27-16)13-29(24)18-8-4-5-9-19(18)30(25)14-21/h1-9,16-17H,10-14H2/t16-,17+,21?,29?,30? |
| InChIKey |
LAUYDHKSOXOBJW-ALXJLHQWSA-N |
| Molecular Weight |
447.520 g/mol |
| SMILES |
C12(CS(c3ccccc3S(C2)=O)=O)O[C@@]2(CN(C[C@@]2(O1)[H])C(OCc1ccccc1)=O)[H] |
| SPLASH |
splash10-0002-0900000000-0eafe75cc820959b73b9 |
| Source of Spectrum |
J-65-3289-7 |
| Wiley ID |
1532246 |
![(1S,5S)-Spiro[1,5-benzodithiepane-3,7'-[3'-(benzyloxycarbonyl)-[3]aza[6,8]dioxabicyclo[3.3.0]octane] 1,5-dioxide](/api/spectrum/HK2EgEDPwmH/structure.png?h=300&w=458 "(1S,5S)-Spiro[1,5-benzodithiepane-3,7'-[3'-(benzyloxycarbonyl)-[3]aza[6,8]dioxabicyclo[3.3.0]octane] 1,5-dioxide")
