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rel-(7R,9R)-Tetraspiro[4.1.1.1.4.2.2.2]heneicosane-8-one
SpectraBase Compound ID 8CVaRt8HYnX
InChI InChI=1S/C21H32O/c22-17-20(11-9-18(15-20)5-1-2-6-18)13-14-21(17)12-10-19(16-21)7-3-4-8-19/h1-16H2/t20-,21-/m1/s1
InChIKey RPUNSFLNDABMDS-NHCUHLMSSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1IfIpYZvH9
Name rel-(7R,9R)-Tetraspiro[4.1.1.1.4.2.2.2]heneicosane-8-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c22-17-20(11-9-18(15-20)5-1-2-6-18)13-14-21(17)12-10-19(16-21)7-3-4-8-19/h1-16H2/t20-,21-/m1/s1
InChIKey RPUNSFLNDABMDS-NHCUHLMSSA-N
Molecular Weight 300.486 g/mol
SMILES [C@@]12(C([C@@]3(CC4(CCCC4)CC3)CC1)=O)CC1(CCCC1)CC2
SPLASH splash10-0a4i-0092000000-0f59559552cdbe831847
Source of Spectrum F-65-1694-17
Wiley ID 1681677