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(4-(4-(benzoyloxy)butyl)-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-1-yl)methyl benzoate
SpectraBase Compound ID AVEEqve6Dat
InChI InChI=1S/C33H36O4/c34-32(24-12-4-1-5-13-24)36-21-11-10-17-27-22-26-16-8-3-9-18-29(26)31-28(19-20-30(27)31)23-37-33(35)25-14-6-2-7-15-25/h1-2,4-7,12-15,22,28H,3,8-11,16-21,23H2
InChIKey DRBBBDXQIVLKOE-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 BKNOCQW40eI
Name (4-(4-(benzoyloxy)butyl)-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-1-yl)methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O4
InChI InChI=1S/C33H36O4/c34-32(24-12-4-1-5-13-24)36-21-11-10-17-27-22-26-16-8-3-9-18-29(26)31-28(19-20-30(27)31)23-37-33(35)25-14-6-2-7-15-25/h1-2,4-7,12-15,22,28H,3,8-11,16-21,23H2
InChIKey DRBBBDXQIVLKOE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201700231
Molecular Weight 496.647 g/mol
SMILES c12c(cc(c3c2C(CC3)COC(c2ccccc2)=O)CCCCOC(c2ccccc2)=O)CCCCC1
SPLASH splash10-00di-0659000000-98737939dc3da4a32475
Source of Spectrum ASC-359-1637/SM27-2t
Wiley ID 1807602