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isokalihinol F
SpectraBase Compound ID E6AdGwE5yLt
InChI InChI=1S/C23H33N3O2/c1-20(2,24-6)17-11-14-23(5,28-17)16-10-12-21(3,25-7)15-9-13-22(4,26-8)19(27)18(15)16/h15-19,27H,9-14H2,1-5H3
InChIKey LAHYYVBLCTUSJS-UHFFFAOYSA-N
Mol Weight 383.5 g/mol
Molecular Formula C23H33N3O2
Exact Mass 383.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUAqXvkwfPm
Name isokalihinol F
Alternate Name(s) 2,5-Diisocyano-8-[5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-2,5-dimethyl-decahydronaphthalen-1-ol
CAS Registry Number 117229-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33N3O2
InChI InChI=1S/C23H33N3O2/c1-20(2,24-6)17-11-14-23(5,28-17)16-10-12-21(3,25-7)15-9-13-22(4,26-8)19(27)18(15)16/h15-19,27H,9-14H2,1-5H3
InChIKey LAHYYVBLCTUSJS-UHFFFAOYSA-N
Molecular Weight 383.536 g/mol
SMILES OC1C2C(C3(OC(C([N+]#[C-])(C)C)CC3)C)CCC(C2CCC1([N+]#[C-])C)([N+]#[C-])C
SPLASH splash10-001i-9401000000-cd615bf59b6130aad322
Source of Spectrum J-53-5972-3
Wiley ID 1361159