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1-(.alpha.-Acetoxybenzyl)triptycene
SpectraBase Compound ID Ij7Cy71nh8R
InChI InChI=1S/C29H22O2/c1-18(30)31-29(19-10-3-2-4-11-19)25-17-9-16-24-26-20-12-5-7-14-22(20)27(28(24)25)23-15-8-6-13-21(23)26/h2-17,26-27,29H,1H3/t26-,27+,29?
InChIKey VWWVYZLQABIODD-JSFNERCOSA-N
Mol Weight 402.49 g/mol
Molecular Formula C29H22O2
Exact Mass 402.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JtugVeFWK
Name 1-(.alpha.-Acetoxybenzyl)triptycene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22O2
InChI InChI=1S/C29H22O2/c1-18(30)31-29(19-10-3-2-4-11-19)25-17-9-16-24-26-20-12-5-7-14-22(20)27(28(24)25)23-15-8-6-13-21(23)26/h2-17,26-27,29H,1H3/t26-,27+,29?
InChIKey VWWVYZLQABIODD-JSFNERCOSA-N
Molecular Weight 402.493 g/mol
SMILES c12[C@]3(c4ccccc4[C@@](c2cccc1C(OC(=O)C)c1ccccc1)(c1ccccc31)[H])[H]
SPLASH splash10-0udi-0043900000-ec457e24095b4872b1d5
Source of Spectrum KC-0-567-1
Synonyms Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-3-yl(phenyl)methyl acetate
Wiley ID 785143