![(5aRS,7RS,11aSR,11bSR)-N-Benzyl-1-oxo-decahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridinium Bromide](/api/spectrum/FkJYbEyBtLB/structure.png?h=300&w=458 "(5aRS,7RS,11aSR,11bSR)-N-Benzyl-1-oxo-decahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridinium Bromide")
| SpectraBase Compound ID | 3KH6M9GFjzw |
|---|---|
| InChI | InChI=1S/C18H24NO3.BrH/c20-18-17-15-9-4-5-11-19(15,13-14-7-2-1-3-8-14)22-16(17)10-6-12-21-18;/h1-3,7-8,15-17H,4-6,9-13H2;1H/q+1;/p-1/t15-,16-,17-,19?;/m1./s1 |
| InChIKey | XQBHBPNQUGARIQ-DXRKKBCGSA-M |
| Mol Weight | 382.3 g/mol |
| Molecular Formula | C18H24BrNO3 |
| Exact Mass | 381.093957 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FkJYbEyBtLB |
|---|---|
| Name | (5aRS,7RS,11aSR,11bSR)-N-Benzyl-1-oxo-decahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridinium Bromide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24BrNO3 |
| InChI | InChI=1S/C18H24NO3.BrH/c20-18-17-15-9-4-5-11-19(15,13-14-7-2-1-3-8-14)22-16(17)10-6-12-21-18;/h1-3,7-8,15-17H,4-6,9-13H2;1H/q+1;/p-1/t15-,16-,17-,19?;/m1./s1 |
| InChIKey | XQBHBPNQUGARIQ-DXRKKBCGSA-M |
| Molecular Weight | 382.298 g/mol |
| SMILES | [Br-].[C@@]12(O[N+]3([C@@]([C@]1(C(OCCC2)=O)[H])(CCCC3)[H])Cc1ccccc1)[H] |
| SPLASH | splash10-0006-9100000000-4b31fd5369a00253b654 |
| Source of Spectrum | K1-2004-4224-24 |
| Synonyms | (5aR,11aR,11bR)-7-(phenylmethyl)-3,4,5,5a,8,9,10,11,11a,11b-decahydrooxepino[2,3]isoxazolo[2,4-a]pyridin-7-ium-1-one;bromide (5aR,11aR,11bR)-7-benzyl-3,4,5,5a,8,9,10,11,11a,11b-decahydrooxepino[2,3][1,2]oxazolo[2,4-a]pyridin-7-ium-1-one;bromide (5aR,11aR,11bR)-7-(phenylmethyl)-3,4,5,5a,8,9,10,11,11a,11b-decahydrooxepino[2,3][1,2]oxazolo[2,4-a]pyridin-7-ium-1-one;bromide |
| Wiley ID | 1561690 |