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(4-dodecoxyphenyl) 2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4-dodecoxyphenyl) 2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate
SpectraBase Compound ID BqDNFvLnY2v
InChI InChI=1S/C39H60O4/c1-3-5-7-9-11-13-15-17-19-21-31-41-35-26-28-37(29-27-35)43-39(40)34-24-30-38-33(32-34)23-25-36(42-38)22-20-18-16-14-12-10-8-6-4-2/h24,26-30,32,36H,3-23,25,31H2,1-2H3
InChIKey RIBQXWJIOYCSTM-UHFFFAOYSA-N
Mol Weight 592.9 g/mol
Molecular Formula C39H60O4
Exact Mass 592.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TTiGfgGxGm
Name (4-Dodecoxyphenyl) 2-undecyl-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 592.449160408 u
Formula C39H60O4
InChI InChI=1S/C39H60O4/c1-3-5-7-9-11-13-15-17-19-21-31-41-35-26-28-37(29-27-35)43-39(40)34-24-30-38-33(32-34)23-25-36(42-38)22-20-18-16-14-12-10-8-6-4-2/h24,26-30,32,36H,3-23,25,31H2,1-2H3
InChIKey RIBQXWJIOYCSTM-UHFFFAOYSA-N
Molecular Weight 592.905 g/mol
SMILES C(C=1C=C2CCC(OC2=CC1)CCCCCCCCCCC)(OC=1C=CC(=CC1)OCCCCCCCCCCCC)=O