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non-1-en-8-yn-3-yl Benzoate
SpectraBase Compound ID 1ip39CRs0kb
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8nv1GvTQJ2
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