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1-Ethyl-3,3-bis(3-phenylpropoxymethyl)cyclobutanecarboxylic acid ethyl ester
SpectraBase Compound ID ITXi64Rtb0E
InChI InChI=1S/C29H40O4/c1-3-29(27(30)33-4-2)21-28(22-29,23-31-19-11-17-25-13-7-5-8-14-25)24-32-20-12-18-26-15-9-6-10-16-26/h5-10,13-16H,3-4,11-12,17-24H2,1-2H3
InChIKey DLHUMNFFVCODIY-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EElLfJN7uU8
Name 1-Ethyl-3,3-bis(3-phenylpropoxymethyl)cyclobutanecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-3-29(27(30)33-4-2)21-28(22-29,23-31-19-11-17-25-13-7-5-8-14-25)24-32-20-12-18-26-15-9-6-10-16-26/h5-10,13-16H,3-4,11-12,17-24H2,1-2H3
InChIKey DLHUMNFFVCODIY-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C1(C(=O)OCC)(CC(C1)(COCCCc1ccccc1)COCCCc1ccccc1)CC
SPLASH splash10-014l-6910400000-9ee41696baef141190c3
Source of Spectrum F4-43-404-15e
Wiley ID 1675108