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2-Phenyl-3-(ethoxycarbonyl)-6-heptyl-4H-pyran

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2-Phenyl-3-(ethoxycarbonyl)-6-heptyl-4H-pyran
SpectraBase Compound ID 2Yax1TIdiY7
InChI InChI=1S/C21H28O3/c1-3-5-6-7-11-14-18-15-16-19(21(22)23-4-2)20(24-18)17-12-9-8-10-13-17/h8-10,12-13,15H,3-7,11,14,16H2,1-2H3
InChIKey BALASJPJXXBYDK-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXM0Ckk4lup
Name 2-Phenyl-3-(ethoxycarbonyl)-6-heptyl-4H-pyran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-3-5-6-7-11-14-18-15-16-19(21(22)23-4-2)20(24-18)17-12-9-8-10-13-17/h8-10,12-13,15H,3-7,11,14,16H2,1-2H3
InChIKey BALASJPJXXBYDK-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
SMILES C1(=C(OC(=CC1)CCCCCCC)c1ccccc1)C(=O)OCC
SPLASH splash10-0002-0093000000-3a3f59b65ad910226b16
Source of Spectrum C-126-9656-2h
Wiley ID 1714577