| SpectraBase Spectrum ID |
916MReaCotp |
| Name |
5,8A-Dimethyl-3-thiomorpholin-4-ylmethyl-3A,5,6,7,8,8A,9,9A-octahydro-3H-naphtho[2,3-B]furan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.191900350 u |
| Formula |
C19H29NO2S |
| InChI |
InChI=1S/C19H29NO2S/c1-13-4-3-5-19(2)11-17-14(10-16(13)19)15(18(21)22-17)12-20-6-8-23-9-7-20/h10,13-15,17H,3-9,11-12H2,1-2H3 |
| InChIKey |
UREJTNAIOFLZPI-UHFFFAOYSA-N |
| Molecular Weight |
335.506 g/mol |
| SMILES |
C1(C(OC2C1C=C1C(C)CCCC1(C2)C)=O)CN1CCSCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948693 |
![5,8a-Dimethyl-3-thiomorpholin-4-ylmethyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one](/api/spectrum/916MReaCotp/structure.png?h=300&w=458 "5,8a-Dimethyl-3-thiomorpholin-4-ylmethyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one")
