| SpectraBase Spectrum ID |
JuWjpr3Fexh |
| Name |
Trigamine - N-oxide |
| Alternate Name(s) |
1-Hydroxy-12-deoxy-1,12-epoxy-Regelamine-N-Oxide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H27NO4 |
| InChI |
InChI=1S/C19H27NO4/c1-20(23)10-6-12-11-15(24-2)18(22)17-16(12)14(20)5-9-19(17)7-3-13(21)4-8-19/h11,13-14,21-22H,3-10H2,1-2H3/t13?,14-,19?,20?/m1/s1 |
| InChIKey |
MPPCUGBCOOLIDL-GJTABCQGSA-N |
| Molecular Weight |
333.428 g/mol |
| SMILES |
Oc1c(cc2CC[N+]([C@]3(c2c1C1(CCC(CC1)O)CC3)[H])([O-])C)OC |
| SPLASH |
splash10-014j-0069000000-6f2acc9d2fb0613bdef5 |
| Source of Spectrum |
X4-21-395-0 |
| Wiley ID |
1585865 |
