| SpectraBase Spectrum ID |
IomWF36a8Yq |
| Name |
6(2H)-Isoquinolinone,octahydro-2-methyl-4a-phenyl-, trans- |
| Alternate Name(s) |
(4aR,8aS)-2-methyl-4a-phenyloctahydro-6(2H)-isoquinolinone
trans-6-oxo-2-methyl-4a-phenyldecahydroisoquinoline |
| CAS Registry Number |
61210-14-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO |
| InChI |
InChI=1S/C16H21NO/c1-17-10-9-16(13-5-3-2-4-6-13)11-15(18)8-7-14(16)12-17/h2-6,14H,7-12H2,1H3/t14-,16+/m1/s1 |
| InChIKey |
FFBSKTNIGLGNQP-ZBFHGGJFSA-N |
| Molecular Weight |
243.350 g/mol |
| SMILES |
[C@]12([C@@](CN(CC2)C)(CCC(C1)=O)[H])c1ccccc1 |
| SPLASH |
splash10-0006-9050000000-b6dbd639f2886eed2763 |
| Source of Spectrum |
C-98-6657-0 |
| Wiley ID |
1246234 |
