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cis,trans-3,11-Dihexanoyldispiro[5.1.5.2]pentadecan-7-one
SpectraBase Compound ID 2I2osThuBiG
InChI InChI=1S/C27H44O5/c1-3-5-7-9-23(28)31-21-11-15-26(16-12-21)19-20-27(25(26)30)17-13-22(14-18-27)32-24(29)10-8-6-4-2/h21-22H,3-20H2,1-2H3/t21-,22?,26+,27?
InChIKey BLILEQORKBDQFL-AATOUUDISA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0E5vwtXhDl
Name cis,trans-3,11-Dihexanoyldispiro[5.1.5.2]pentadecan-7-one
CAS Registry Number 139629-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-5-7-9-23(28)31-21-11-15-26(16-12-21)19-20-27(25(26)30)17-13-22(14-18-27)32-24(29)10-8-6-4-2/h21-22H,3-20H2,1-2H3/t21-,22?,26+,27?
InChIKey BLILEQORKBDQFL-AATOUUDISA-N
Molecular Weight 448.644 g/mol
SMILES C1(C2(CC[C@]11CC[C@](OC(=O)CCCCC)(CC1)[H])CCC(OC(=O)CCCCC)CC2)=O
SPLASH splash10-014i-0091000000-75b8cf4853d08ea6f5af
Source of Spectrum K-125-1868-9
Synonyms trans,trans-3,11-Dihexanoyldispiro[5.1.5.2]pentadecan-7-one 11-(hexanoyloxy)-7-oxodispiro[5.1.5.2]pentadec-3-yl hexanoate
Wiley ID 1387295