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(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanatocycloamphilect-10-ene
SpectraBase Compound ID CGHhKuIlKgA
InChI InChI=1S/C21H31N/c1-13-9-15-11-20(2,3)10-14-5-6-17-19(18(14)15)16(13)7-8-21(17,4)12-22/h5,13,15-19H,6-11H2,1-4H3/t13-,15-,16+,17-,18-,19+,21+/m0/s1
InChIKey YQIDYSXUAWORQB-CFYDALQJSA-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 27tSNQTuW8
Name (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanatocycloamphilect-10-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-13-9-15-11-20(2,3)10-14-5-6-17-19(18(14)15)16(13)7-8-21(17,4)12-22/h5,13,15-19H,6-11H2,1-4H3/t13-,15-,16+,17-,18-,19+,21+/m0/s1
InChIKey YQIDYSXUAWORQB-CFYDALQJSA-N
Molecular Weight 297.486 g/mol
SMILES C1=2[C@@]3([C@@]4([C@@](CC[C@@]([C@]4(CC2)[H])(C#N)C)([H])[C@](C[C@@]3([H])CC(C1)(C)C)(C)[H])[H])[H]
SPLASH splash10-05fr-0190000000-4ca8d94c3c16534a5eff
Source of Spectrum J-61-3261-7
Wiley ID 1299764