| SpectraBase Spectrum ID |
2DkNpSzxjma |
| Name |
1,2-Pentanediol, 5-(6-bromodecahydro-2-hydroxy-2,5,5A,8A-tetramethyl-1-naphthalenyl)-3-methylene- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.176957984 u |
| Formula |
C20H35BrO3 |
| InChI |
InChI=1S/C20H35BrO3/c1-13(14(23)12-22)6-7-16-19(4)10-9-17(21)18(2,3)15(19)8-11-20(16,5)24/h14-17,22-24H,1,6-12H2,2-5H3 |
| InChIKey |
LWCMNEXXVMTKFW-UHFFFAOYSA-N |
| Molecular Weight |
403.401 g/mol |
| SMILES |
C1(CCC2(C(C1(C)C)CCC(C2CCC(=C)C(O)CO)(C)O)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939991 |
