SpectraBase Compound ID | 2ugXqaP9HUb |
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InChI | InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13) |
InChIKey | FTMZLSDESAOPSZ-UHFFFAOYSA-N |
Mol Weight | 213.28 g/mol |
Molecular Formula | C11H19NO3 |
Exact Mass | 213.136493 g/mol |
SpectraBase Spectrum ID | 7TK5QFx7d6h |
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Name | N-Heptanoyl-L-homoserine lactone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 213.136493473 u |
Formula | C11H19NO3 |
InChI | InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13) |
InChIKey | FTMZLSDESAOPSZ-UHFFFAOYSA-N |
Molecular Weight | 213.277 g/mol |
SMILES | CCCCCCC(=O)NC1CCOC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878411 |