| SpectraBase Compound ID | LWk0Bd7kQBu |
|---|---|
| InChI | InChI=1S/C13H16/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h3-7H,1,8-10H2,2H3/t13-/m1/s1 |
| InChIKey | OLUNCTBFBUTRGR-CYBMUJFWSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1nMoehfMD6I |
|---|---|
| Name | (1S)-1-Allyl-1-methyl-indane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h3-7H,1,8-10H2,2H3/t13-/m1/s1 |
| InChIKey | OLUNCTBFBUTRGR-CYBMUJFWSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | [C@]1(C2=C(C=CC=C2)CC1)(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919392 |