| SpectraBase Spectrum ID |
3VagtAS6cYB |
| Name |
2-Phenyl-3a-methyl-3-thioxoimidazolidin[1,5-a]-trans-perhydroquinoxalin-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21N3OS |
| InChI |
InChI=1S/C17H21N3OS/c1-17-15(21)18-13-9-5-6-10-14(13)20(17)11-19(16(17)22)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,18,21)/t13-,14-,17?/m1/s1 |
| InChIKey |
UKBQFKJNYMWGGG-LJNCCCJHSA-N |
| Molecular Weight |
315.435 g/mol |
| SMILES |
N1[C@@]2(CCCC[C@]2(N2C(C1=O)(C(N(C2)c1ccccc1)=S)C)[H])[H] |
| SPLASH |
splash10-014i-0900000000-f88d53306f2cfa171c5d |
| Source of Spectrum |
C5-2004-2171-6 |
| Synonyms |
(5aR,9aR)-3a-methyl-2-phenyl-3-sulfanylidene-1,5,5a,6,7,8,9,9a-octahydroimidazo[1,5-a]quinoxalin-4-one |
| Wiley ID |
1617284 |
![2-Phenyl-3a-methyl-3-thioxoimidazolidin[1,5-a]-trans-perhydroquinoxalin-4-one](/api/spectrum/3VagtAS6cYB/structure.png?h=300&w=458 "2-Phenyl-3a-methyl-3-thioxoimidazolidin[1,5-a]-trans-perhydroquinoxalin-4-one")
