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(1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilect-11,14-diene
SpectraBase Compound ID GILltCloWcd
InChI InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h10,15-18,20H,6-9,11H2,1-5H3/t15-,16-,17+,18-,20+,21+/m0/s1
InChIKey RBUNFUSZHCJPFL-GIADRTNZSA-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 1YudRqd3Mu
Name (1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilect-11,14-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h10,15-18,20H,6-9,11H2,1-5H3/t15-,16-,17+,18-,20+,21+/m0/s1
InChIKey RBUNFUSZHCJPFL-GIADRTNZSA-N
Molecular Weight 297.486 g/mol
SMILES C1=2[C@]3([C@]([C@](C#N)(C)CC[C@]3([H])[C@](C[C@@]1(C=C(C)C)[H])(C)[H])([H])CCC2C)[H]
SPLASH splash10-0ac1-0290000000-d65c2fdf870cc7e04a95
Source of Spectrum J-61-3261-13
Wiley ID 1299759