SpectraBase Compound ID | 1ip39CRs0kb |
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InChI | InChI=1S/C16H18O2/c1-3-5-6-10-13-15(4-2)18-16(17)14-11-8-7-9-12-14/h1,4,7-9,11-12,15H,2,5-6,10,13H2 |
InChIKey | PTNFGFZPNKGWPB-UHFFFAOYSA-N |
Mol Weight | 242.32 g/mol |
Molecular Formula | C16H18O2 |
Exact Mass | 242.13068 g/mol |
SpectraBase Spectrum ID | A8nv1GvTQJ2 |
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Name | non-1-en-8-yn-3-yl Benzoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 242.130679818 u |
Formula | C16H18O2 |
InChI | InChI=1S/C16H18O2/c1-3-5-6-10-13-15(4-2)18-16(17)14-11-8-7-9-12-14/h1,4,7-9,11-12,15H,2,5-6,10,13H2 |
InChIKey | PTNFGFZPNKGWPB-UHFFFAOYSA-N |
Molecular Weight | 242.318 g/mol |
SMILES | C(OC(C=C)CCCCC#C)(=O)C=1C=CC=CC1 |