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1-[ (1R,3aR*,7aS*)-Hexahydro-3a-methyl-7-methylene-1-indanyl]-2-methylpropenyl Isocyanide
SpectraBase Compound ID KVGzH4tCl56
InChI InChI=1S/C16H23N/c1-11(2)15(17-5)13-8-10-16(4)9-6-7-12(3)14(13)16/h13-14H,3,6-10H2,1-2,4H3/t13-,14-,16-/m1/s1
InChIKey GEFRHFBUTWDFNH-IIAWOOMASA-N
Mol Weight 229.37 g/mol
Molecular Formula C16H23N
Exact Mass 229.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu2kd3rTBIX
Name 1-[ (1R,3aR*,7aS*)-Hexahydro-3a-methyl-7-methylene-1-indanyl]-2-methylpropenyl Isocyanide
CAS Registry Number 127516-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N
InChI InChI=1S/C16H23N/c1-11(2)15(17-5)13-8-10-16(4)9-6-7-12(3)14(13)16/h13-14H,3,6-10H2,1-2,4H3/t13-,14-,16-/m1/s1
InChIKey GEFRHFBUTWDFNH-IIAWOOMASA-N
Molecular Weight 229.367 g/mol
SMILES [C@@]1(C([N+]#[C-])=C(C)C)([C@@]2([C@@](CCCC2=C)(C)CC1)[H])[H]
SPLASH splash10-08i3-9870000000-dae4086b078f719c43b9
Source of Spectrum J-57-2028-5
Synonyms (1R,3aR,7aS)-1-(1-isocyano-2-methylprop-1-en-1-yl)-3a-methyl-7-methylidene-octahydro-1H-indene
Wiley ID 1231021