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3-Isobutylidenediamantane
SpectraBase Compound ID 9tyouhs6tGC
InChI InChI=1S/C18H26/c1-9(2)3-12-11-7-14-13-4-10-5-16(14)18(12)17(6-10)15(13)8-11/h3,9-11,13-18H,4-8H2,1-2H3/b12-3+/t10-,11+,13+,14+,15-,16-,17-,18-/m1/s1
InChIKey PPYSAEKOEQXMCG-JFQJWZTMSA-N
Mol Weight 242.41 g/mol
Molecular Formula C18H26
Exact Mass 242.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBzQFDNlZNz
Name 3-Isobutylidenediamantane
CAS Registry Number 119207-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26
InChI InChI=1S/C18H26/c1-9(2)3-12-11-7-14-13-4-10-5-16(14)18(12)17(6-10)15(13)8-11/h3,9-11,13-18H,4-8H2,1-2H3/b12-3+/t10-,11+,13+,14+,15-,16-,17-,18-/m1/s1
InChIKey PPYSAEKOEQXMCG-JFQJWZTMSA-N
Molecular Weight 242.406 g/mol
SMILES [C@]12(\C([C@]3(C[C@@]4([C@]1(C[C@@]1(C[C@@]2([C@](C3)([C@]4(C1)[H])[H])[H])[H])[H])[H])[H])=C\C(C)C)[H]
SPLASH splash10-0006-3290000000-43cf852ca121db6664cb
Source of Spectrum J-54-1377-8
Synonyms (3E)-3-(2-methylpropylidene)pentacyclo[7.3.1.1(4,12).0(2,7).0(6,11)]tetradecane
Wiley ID 1245701