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(1S*,3S*,4R*,7S,8S*,11R*,12R*,13S*,20S*)-7-isocyanatoisocycloamphilect-14-ene
SpectraBase Compound ID 9cqqIHP2zPV
InChI InChI=1S/C21H31N/c1-12-9-15-10-13(2)16-7-8-21(4,11-22)18-6-5-17(14(12)3)19(15)20(16)18/h9,13-20H,5-8,10H2,1-4H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+/m0/s1
InChIKey IBAYMLMAQMYLOI-YWBXBGTBSA-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 Al9foFBAKCo
Name (1S*,3S*,4R*,7S,8S*,11R*,12R*,13S*,20S*)-7-isocyanatoisocycloamphilect-14-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-12-9-15-10-13(2)16-7-8-21(4,11-22)18-6-5-17(14(12)3)19(15)20(16)18/h9,13-20H,5-8,10H2,1-4H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+/m0/s1
InChIKey IBAYMLMAQMYLOI-YWBXBGTBSA-N
Molecular Weight 297.486 g/mol
SMILES [C@]12([C@]3([C@]4([C@](C#N)(C)CC[C@]3([H])[C@](C[C@]1(C=C(C)[C@]([C@]2(CC4)[H])(C)[H])[H])(C)[H])[H])[H])[H]
SPLASH splash10-0aba-0190000000-79d460226669d7fe3e65
Source of Spectrum J-61-3261-6
Wiley ID 1299765