| SpectraBase Spectrum ID |
2aKvKhsq1o1 |
| Name |
(1R,2S,5R,6S)-3-Benzyl-2-endo-sec-butyl-6-endo-hydroxymethyl-7,8-dioxa-3-azabicyclo[3.2.1]octane |
| Alternate Name(s) |
[(1R,4S,5R,7S)-3-benzyl-4-sec-butyl-6,8-dioxa-3-azabicyclo[3.2.1]oct-7-yl]methanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25NO3 |
| InChI |
InChI=1S/C17H25NO3/c1-3-12(2)16-17-20-14(15(11-19)21-17)10-18(16)9-13-7-5-4-6-8-13/h4-8,12,14-17,19H,3,9-11H2,1-2H3/t12?,14-,15+,16+,17-/m1/s1 |
| InChIKey |
LXQPPGVODSTTTG-NCIRKRJJSA-N |
| Molecular Weight |
291.391 g/mol |
| SMILES |
OC[C@]1([C@]2(CN([C@]([C@@](O1)(O2)[H])(C(CC)C)[H])Cc1ccccc1)[H])[H] |
| SPLASH |
splash10-0006-9000000000-b56f44dcec9e59543e92 |
| Source of Spectrum |
F-67-7490-8 |
| Wiley ID |
1571046 |
![(1R,2S,5R,6S)-3-Benzyl-2-endo-sec-butyl-6-endo-hydroxymethyl-7,8-dioxa-3-azabicyclo[3.2.1]octane](/api/spectrum/2aKvKhsq1o1/structure.png?h=300&w=458 "(1R,2S,5R,6S)-3-Benzyl-2-endo-sec-butyl-6-endo-hydroxymethyl-7,8-dioxa-3-azabicyclo[3.2.1]octane")
