SpectraBase Compound ID | Ag0AypwKAI0 |
---|---|
InChI | InChI=1S/C12H16/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3/t11-/m1/s1 |
InChIKey | RECDVQPZVWBGII-LLVKDONJSA-N |
Mol Weight | 160.26 g/mol |
Molecular Formula | C12H16 |
Exact Mass | 160.125201 g/mol |
SpectraBase Spectrum ID | CoKZa3yVOga |
---|---|
Name | ((S)-3-Methyl-pent-4-enyl)-benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 160.125200515 u |
Formula | C12H16 |
InChI | InChI=1S/C12H16/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3/t11-/m1/s1 |
InChIKey | RECDVQPZVWBGII-LLVKDONJSA-N |
Molecular Weight | 160.260 g/mol |
SMILES | C(=C)[C@](CCC1=CC=CC=C1)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962599 |