SpectraBase Spectrum ID |
9z64946Pv6i |
Name |
Trans-2-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropanecarboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.208930140 u |
Formula |
C18H28O2 |
InChI |
InChI=1S/C18H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16-12-17(16)18(19)20/h7,9,11,16-17H,5-6,8,10,12H2,1-4H3,(H,19,20)/b14-9+,15-11+/t16-,17-/m1/s1 |
InChIKey |
WGSCPBVMKQHKEE-TXPYRGBKSA-N |
Molecular Weight |
276.420 g/mol |
SMILES |
[C@]1([C@](C(=O)O)(C1)[H])(\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880427 |