| SpectraBase Compound ID | GlPjcSfpT0Z |
|---|---|
| InChI | InChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)12(9-13)10-14/h11-12,14H,3-10,13H2,1-2H3 |
| InChIKey | DKYZQSPEZKYJOR-UHFFFAOYSA-N |
| Mol Weight | 201.35 g/mol |
| Molecular Formula | C12H27NO |
| Exact Mass | 201.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KRQpirZjgSb |
|---|---|
| Name | 2-Aminomethyl-3-butyl-1-heptanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.209264492 u |
| Formula | C12H27NO |
| InChI | InChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)12(9-13)10-14/h11-12,14H,3-10,13H2,1-2H3 |
| InChIKey | DKYZQSPEZKYJOR-UHFFFAOYSA-N |
| Molecular Weight | 201.354 g/mol |
| SMILES | C(C(C(CCCC)CCCC)CN)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961052 |