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tert-Butyl 2-[4,4-bis(ethoxymethyl)cyclopent-1-enyl]4-phenylbutyrate
SpectraBase Compound ID Kpye52OvUkn
InChI InChI=1S/C25H38O4/c1-6-27-18-25(19-28-7-2)16-15-21(17-25)22(23(26)29-24(3,4)5)14-13-20-11-9-8-10-12-20/h8-12,15,22H,6-7,13-14,16-19H2,1-5H3
InChIKey HAIVEFINBYTQEF-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JM5WakZTZ2O
Name tert-Butyl 2-[4,4-bis(ethoxymethyl)cyclopent-1-enyl]4-phenylbutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-6-27-18-25(19-28-7-2)16-15-21(17-25)22(23(26)29-24(3,4)5)14-13-20-11-9-8-10-12-20/h8-12,15,22H,6-7,13-14,16-19H2,1-5H3
InChIKey HAIVEFINBYTQEF-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1(C(C(OC(C)(C)C)=O)CCc2ccccc2)=CCC(C1)(COCC)COCC
SPLASH splash10-0k96-4910000000-2e54d38f25632d45f289
Source of Spectrum F-67-1109-15b
Wiley ID 1685746