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3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene, decahydro-2-(4-methylphenyl)-
SpectraBase Compound ID FiTh8HHo9cX
InChI InChI=1S/C21H26/c1-11-2-4-13(5-3-11)20-14-9-16-15-6-12-7-18(16)21(20)19(8-12)17(15)10-14/h2-5,12,14-21H,6-10H2,1H3/t12-,14-,15+,16+,17-,18-,19+,20?,21+
InChIKey RNRAWUWBHSOCEI-UGZNTNTISA-N
Mol Weight 278.44 g/mol
Molecular Formula C21H26
Exact Mass 278.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21ebXKGwDXR
Name 3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene, decahydro-2-(4-methylphenyl)-
CAS Registry Number 115942-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26
InChI InChI=1S/C21H26/c1-11-2-4-13(5-3-11)20-14-9-16-15-6-12-7-18(16)21(20)19(8-12)17(15)10-14/h2-5,12,14-21H,6-10H2,1H3/t12-,14-,15+,16+,17-,18-,19+,20?,21+
InChIKey RNRAWUWBHSOCEI-UGZNTNTISA-N
Molecular Weight 278.439 g/mol
SMILES [C@]12([C@]3([C@@]4(C[C@@](C2)(C(c2ccc(cc2)C)[C@]2([C@]1(C[C@](C[C@]42[H])(C3)[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-004i-6690000000-20a61710bc91742512b9
Source of Spectrum J-53-5144-2
Synonyms 3-(4-Methylphenyl)pentacyclo[7.3.1.1(4,12).0(2,7).0(6,11)]tetradecane
Wiley ID 1282656