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1,1'-(Isocyanatomethanediyl)diadamantane
SpectraBase Compound ID 5fu6svYDH85
InChI InChI=1S/C22H31NO/c24-13-23-20(21-7-14-1-15(8-21)3-16(2-14)9-21)22-10-17-4-18(11-22)6-19(5-17)12-22/h14-20H,1-12H2/t14-,15+,16-,17-,18+,19-,21-,22-
InChIKey XVWFAOCIAAYEKP-DMTULWOASA-N
Mol Weight 325.5 g/mol
Molecular Formula C22H31NO
Exact Mass 325.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9G9boo5na4s
Name 1,1'-(Isocyanatomethanediyl)diadamantane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO
InChI InChI=1S/C22H31NO/c24-13-23-20(21-7-14-1-15(8-21)3-16(2-14)9-21)22-10-17-4-18(11-22)6-19(5-17)12-22/h14-20H,1-12H2/t14-,15+,16-,17-,18+,19-,21-,22-
InChIKey XVWFAOCIAAYEKP-DMTULWOASA-N
Molecular Weight 325.496 g/mol
SMILES C12(C(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])N=C=O)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-0900000000-2747862323496fded3a0
Source of Spectrum O1-47-607-3c
Wiley ID 1669521