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trans-4-Isocyano-4-methylcyclohexyl acetate

View entire compound with spectra: 1 MS (GC)

trans-4-Isocyano-4-methylcyclohexyl acetate
SpectraBase Compound ID 2AOcff19pq0
InChI InChI=1S/C10H15NO2/c1-8(12)13-9-4-6-10(2,11-3)7-5-9/h9H,4-7H2,1-2H3/t9-,10-
InChIKey VOCYWQHHICSNFT-MGCOHNPYSA-N
Mol Weight 181.23 g/mol
Molecular Formula C10H15NO2
Exact Mass 181.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYS3QDvYf4X
Name trans-4-Isocyano-4-methylcyclohexyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO2
InChI InChI=1S/C10H15NO2/c1-8(12)13-9-4-6-10(2,11-3)7-5-9/h9H,4-7H2,1-2H3/t9-,10-
InChIKey VOCYWQHHICSNFT-MGCOHNPYSA-N
Molecular Weight 181.235 g/mol
SMILES [C@]1([N+]#[C-])(CC[C@@](OC(=O)C)(CC1)[H])C
SPLASH splash10-002f-9100000000-ae8cbed815832f7d1eb9
Source of Spectrum SO-0-443-7
Synonyms 4-isocyano-4-methylcyclohexyl acetate
Wiley ID 864241