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(4-hexoxyphenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate

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(4-hexoxyphenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate
SpectraBase Compound ID FUh1xuwpxOZ
InChI InChI=1S/C28H38O4/c1-3-5-7-9-11-25-14-12-22-21-23(13-19-27(22)31-25)28(29)32-26-17-15-24(16-18-26)30-20-10-8-6-4-2/h13,15-19,21,25H,3-12,14,20H2,1-2H3
InChIKey GEQCFEJAILPKRA-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1vnYtYmSuB
Name (4-Hexoxyphenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-3-5-7-9-11-25-14-12-22-21-23(13-19-27(22)31-25)28(29)32-26-17-15-24(16-18-26)30-20-10-8-6-4-2/h13,15-19,21,25H,3-12,14,20H2,1-2H3
InChIKey GEQCFEJAILPKRA-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(C=1C=C2CCC(OC2=CC1)CCCCCC)(OC=1C=CC(=CC1)OCCCCCC)=O