| SpectraBase Spectrum ID |
HsPSCbYItou |
| Name |
trans-N-2-(1-Hydroxy-2-methylpropyl)-3,3,6,6-tetramethyl-1-azacycloheptane-4,5-diol |
| CAS Registry Number |
58384-53-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H29NO3 |
| InChI |
InChI=1S/C14H29NO3/c1-8(2)9(16)10-14(5,6)12(18)11(17)13(3,4)7-15-10/h8-12,15-18H,7H2,1-6H3/t9?,10?,11-,12-/m1/s1 |
| InChIKey |
KEEYYCLTKGXHGI-KIDURHIOSA-N |
| Molecular Weight |
259.390 g/mol |
| SMILES |
N1CC([C@@]([C@](C(C1C(C(C)C)O)(C)C)(O)[H])(O)[H])(C)C |
| SPLASH |
splash10-004i-0090000000-08d3dda460b400c7b017 |
| Source of Spectrum |
J-41-1773-0 |
| Synonyms |
(4S,5S)-2-(1-hydroxy-2-methylpropyl)-3,3,6,6-tetramethylhexahydro-1H-azepine-4,5-diol |
| Wiley ID |
1262728 |
