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8-isocyano-10,14-amphilectadiene
SpectraBase Compound ID 5f4kqmG1sQN
InChI InChI=1S/C21H31N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h9,11,15-20H,7-8,10,12H2,1-5H3/t15?,16?,17-,18?,19?,20-,21+/m0/s1
InChIKey LWHJQLLQRCVYJH-VHUWFZTASA-N
Mol Weight 297.49 g/mol
Molecular Formula C21H31N
Exact Mass 297.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSbZ6iNfppa
Name 8-isocyano-10,14-amphilectadiene
CAS Registry Number 108695-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h9,11,15-20H,7-8,10,12H2,1-5H3/t15?,16?,17-,18?,19?,20-,21+/m0/s1
InChIKey LWHJQLLQRCVYJH-VHUWFZTASA-N
Molecular Weight 297.486 g/mol
SMILES [C@]12([C@@]3(C([C@@](C=C(C)C)(CC(C3CCC1C)C)[H])C(=CC2)C)[H])[N+]#[C-]
SPLASH splash10-0a4i-0930000000-aa88977dd31f607d2428
Source of Spectrum J-52-3336-3
Synonyms (1R,3a(1)S,6aR)-6a-isocyano-3,6,9-trimethyl-1-(2-methylprop-1-en-1-yl)-2,3,3a,3a(1),4,5,6,6a,7,9a-decahydro-1H-phenalene
Wiley ID 1300412