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(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilect-11,14-diene
SpectraBase Compound ID EeaMHN0nRsJ
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/h6,10,15-20H,7-9,11H2,1-5H3/t15-,16+,17+,18-,19-,20+,21+/m0/s1
InChIKey SUQFWVZYUFDVKT-QJZPXWABSA-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 HFNLR5RJiog
Name (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-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/h6,10,15-20H,7-9,11H2,1-5H3/t15-,16+,17+,18-,19-,20+,21+/m0/s1
InChIKey SUQFWVZYUFDVKT-QJZPXWABSA-N
Molecular Weight 297.486 g/mol
SMILES [C@@]12([C@@]3([C@@](C=C(C)C)([H])C[C@@]([C@]2(CC[C@@]([C@]1(CC=C3C)[H])(C#N)C)[H])(C)[H])[H])[H]
SPLASH splash10-0a4i-0940000000-a2ef3d02c272675405a7
Source of Spectrum J-61-3261-9
Wiley ID 1299762