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(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-20-Isocyano-7-isothiocyanatoisocycloamphilectane

View entire compound with spectra: 1 MS (GC)

(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-20-Isocyano-7-isothiocyanatoisocycloamphilectane
SpectraBase Compound ID AMTeSW5lSBk
InChI InChI=1S/C22H32N2O/c1-13-9-15-10-14(2)21(3,11-23)17-5-6-18-20(19(15)17)16(13)7-8-22(18,4)24-12-25/h13-20H,5-10H2,1-4H3/t13-,14+,15-,16+,17-,18-,19+,20+,21+,22-/m0/s1
InChIKey PQKVPNQECCMWNB-RMBRTBKZSA-N
Mol Weight 340.5 g/mol
Molecular Formula C22H32N2O
Exact Mass 340.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9o8KdkSsnfJ
Name (1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-20-Isocyano-7-isothiocyanatoisocycloamphilectane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O
InChI InChI=1S/C22H32N2O/c1-13-9-15-10-14(2)21(3,11-23)17-5-6-18-20(19(15)17)16(13)7-8-22(18,4)24-12-25/h13-20H,5-10H2,1-4H3/t13-,14+,15-,16+,17-,18-,19+,20+,21+,22-/m0/s1
InChIKey PQKVPNQECCMWNB-RMBRTBKZSA-N
Molecular Weight 340.511 g/mol
SMILES [C@]12([C@]3([C@@](C#N)(C)[C@@](C[C@@]2(C[C@](C)([C@@]2([C@@]1([C@@]([C@](N=C=O)(C)CC2)(CC3)[H])[H])[H])[H])[H])(C)[H])[H])[H]
SPLASH splash10-00di-0090000000-828c413a86d1b00bf60b
Source of Spectrum J-61-3261-4
Wiley ID 1335573