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6,6'-(cyclohexene-1,2-diyl)bis(hex-5-yne-6,1-diyl) dibenzoate
SpectraBase Compound ID 3goHfGKYdm1
InChI InChI=1S/C32H34O4/c33-31(29-21-9-5-10-22-29)35-25-15-3-1-7-17-27-19-13-14-20-28(27)18-8-2-4-16-26-36-32(34)30-23-11-6-12-24-30/h5-6,9-12,21-24H,1-4,13-16,19-20,25-26H2
InChIKey YXQNCXSZCYRAOL-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C32H34O4
Exact Mass 482.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAx5z2lqebz
Name 6,6'-(cyclohexene-1,2-diyl)bis(hex-5-yne-6,1-diyl) dibenzoate
Alternate Name(s) cyclohex-1-ene-1,2-diylbis(hex-5-yne-6,1-diyl) dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H34O4
InChI InChI=1S/C32H34O4/c33-31(29-21-9-5-10-22-29)35-25-15-3-1-7-17-27-19-13-14-20-28(27)18-8-2-4-16-26-36-32(34)30-23-11-6-12-24-30/h5-6,9-12,21-24H,1-4,13-16,19-20,25-26H2
InChIKey YXQNCXSZCYRAOL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201700231
Molecular Weight 482.620 g/mol
SMILES C1CC(=C(CC1)C#CCCCCOC(c1ccccc1)=O)C#CCCCCOC(c1ccccc1)=O
SPLASH splash10-0a4i-0942300000-c7e881809d963c6c3db5
Source of Spectrum ASC-359-1637/SM15-1s
Wiley ID 1807593