| SpectraBase Spectrum ID |
7A3CLit6j2o |
| Name |
(1S,15R,16S,18R,19R)-19-Butoxy-18-(butoxymethyl)-8-butyl-16-methoxy-2,5,11,14,17-pentaoxa-8-azabicyclo[13.4.0]nonadecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
519.377117663 u |
| Formula |
C27H53NO8 |
| InChI |
InChI=1S/C27H53NO8/c1-5-8-11-28-12-16-30-18-20-34-25-24(33-15-10-7-3)23(22-32-14-9-6-2)36-27(29-4)26(25)35-21-19-31-17-13-28/h23-27H,5-22H2,1-4H3/t23-,24-,25+,26-,27+/m1/s1 |
| InChIKey |
OZMLWFBMFPPECE-SEFGFODJSA-N |
| Molecular Weight |
519.720 g/mol |
| SMILES |
[C@@]12([C@]([C@](OCCCC)([C@](O[C@@]2(OC)[H])(COCCCC)[H])[H])(OCCOCCN(CCOCCO1)CCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97784 |
![(1S,15R,16S,18R,19R)-19-butoxy-18-(butoxymethyl)-8-butyl-16-methoxy-2,5,11,14,17-pentaoxa-8-azabicyclo[13.4.0]nonadecane](/api/spectrum/7A3CLit6j2o/structure.png?h=300&w=458 "(1S,15R,16S,18R,19R)-19-butoxy-18-(butoxymethyl)-8-butyl-16-methoxy-2,5,11,14,17-pentaoxa-8-azabicyclo[13.4.0]nonadecane")
