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6,6'-(cycloheptene-1,2-diyl)bis(hex-5-yne-6,1-diyl) dibenzoate
SpectraBase Compound ID LaTpZZbeiMc
InChI InChI=1S/C33H36O4/c34-32(30-22-12-6-13-23-30)36-26-16-3-1-8-18-28-20-10-5-11-21-29(28)19-9-2-4-17-27-37-33(35)31-24-14-7-15-25-31/h6-7,12-15,22-25H,1-5,10-11,16-17,20-21,26-27H2
InChIKey YOAAXCUTOHLWHU-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C33H36O4
Exact Mass 496.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOB7SS4wgh6
Name 6,6'-(cycloheptene-1,2-diyl)bis(hex-5-yne-6,1-diyl) dibenzoate
Alternate Name(s) cyclohept-1-ene-1,2-diylbis(hex-5-yne-6,1-diyl) dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O4
InChI InChI=1S/C33H36O4/c34-32(30-22-12-6-13-23-30)36-26-16-3-1-8-18-28-20-10-5-11-21-29(28)19-9-2-4-17-27-37-33(35)31-24-14-7-15-25-31/h6-7,12-15,22-25H,1-5,10-11,16-17,20-21,26-27H2
InChIKey YOAAXCUTOHLWHU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201700231
Molecular Weight 496.647 g/mol
SMILES C1CC(=C(CCC1)C#CCCCCOC(c1ccccc1)=O)C#CCCCCOC(c1ccccc1)=O
SPLASH splash10-0ar0-2974100000-a2e779ebb708cd7cd7d2
Source of Spectrum ASC-359-1637/SM16-1t
Wiley ID 1807594