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(dl)-3-[(8E)-Heptadec-8enyl)-3,4-dihydroisocoumarin

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(dl)-3-[(8E)-Heptadec-8enyl)-3,4-dihydroisocoumarin
SpectraBase Compound ID 6pC9LkaGRLg
InChI InChI=1S/C26H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h9-10,17-19,21,24H,2-8,11-16,20,22H2,1H3/b10-9+
InChIKey YKPXMNAVJQFPLY-MDZDMXLPSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KD8Uu7GJekR
Name (dl)-3-[(8E)-Heptadec-8enyl)-3,4-dihydroisocoumarin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.302830526 u
Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h9-10,17-19,21,24H,2-8,11-16,20,22H2,1H3/b10-9+
InChIKey YKPXMNAVJQFPLY-MDZDMXLPSA-N
Molecular Weight 384.604 g/mol
SMILES C1=CC=C2C(OC(CC2=C1)CCCCCCC\C=C\CCCCCCCC)=O