| SpectraBase Spectrum ID |
9IbxZ3wNZN0 |
| Name |
(3S,4aS,8aS)-1-methyl-3-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one |
| Alternate Name(s) |
(3S,4aS,8aS)-3-benzyl-1-methyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one |
| CAS Registry Number |
114612-41-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22N2O |
| InChI |
InChI=1S/C16H22N2O/c1-18-15-10-6-5-9-13(15)17-14(16(18)19)11-12-7-3-2-4-8-12/h2-4,7-8,13-15,17H,5-6,9-11H2,1H3/t13-,14-,15-/m0/s1 |
| InChIKey |
HOMIOWYLJPLWPU-KKUMJFAQSA-N |
| Molecular Weight |
258.365 g/mol |
| SMILES |
N1[C@](C(N([C@@]2([C@@]1(CCCC2)[H])[H])C)=O)(Cc1ccccc1)[H] |
| SPLASH |
splash10-014i-0900000000-fa141bb2be0407febd91 |
| Source of Spectrum |
Y-24-1299-6 |
| Wiley ID |
1262110 |
