| SpectraBase Spectrum ID |
K2yCzTu1n5T |
| Name |
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-18,19-dithiol |
| Alternate Name(s) |
6,7,9,10,12,13,15,16,18,19-Decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecene-2,3-dithiol |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C16H24O6S2 - which differs from the formula reported for the mass spectrum (C12H24O6S2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H24O6S2 |
| InChI |
InChI=1S/C16H24O6S2/c23-15-11-13-14(12-16(15)24)22-10-8-20-6-4-18-2-1-17-3-5-19-7-9-21-13/h11-12,23-24H,1-10H2 |
| InChIKey |
SDHGKSOENJMBEN-UHFFFAOYSA-N |
| Molecular Weight |
376.482 g/mol |
| SMILES |
Sc1cc2c(cc1S)OCCOCCOCCOCCOCCO2 |
| SPLASH |
splash10-0006-0009000000-9b801425a4164e5250d8 |
| Source of Spectrum |
KA-0-2197-0 |
| Wiley ID |
1325882 |
