| SpectraBase Spectrum ID |
6dU4sVd9afN |
| Name |
1-Hydroxy-1,12 : 12-dideoxy-regelamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.199093730 u |
| Formula |
C19H27NO3 |
| InChI |
InChI=1S/C19H27NO3/c1-20-10-6-12-11-15(23-2)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 |
| InChIKey |
XLVLBRPMJIIOTK-UHFFFAOYSA-N |
| Molecular Weight |
317.429 g/mol |
| SMILES |
C12=C3C(O)=C(C=C2CCN(C1CCC31CCC(CC1)O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935307 |
