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Darumetine

View entire compound with spectra: 1 MS (GC)

Darumetine
SpectraBase Compound ID 9oeaRpMdFTm
InChI InChI=1S/C16H21NO3/c1-17-12-5-6-13(17)10-15(9-12)20-16(18)11-3-7-14(19-2)8-4-11/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3/t12-,13+,15+
InChIKey JOROTINCCHPFDK-NHAGDIPZSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UY8sR4ScMH
Name Darumetine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-17-12-5-6-13(17)10-15(9-12)20-16(18)11-3-7-14(19-2)8-4-11/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3/t12-,13+,15+
InChIKey JOROTINCCHPFDK-NHAGDIPZSA-N
Molecular Weight 275.348 g/mol
SMILES [C@@]12(N([C@@](C[C@](C2)(OC(c2ccc(cc2)OC)=O)[H])(CC1)[H])C)[H]
SPLASH splash10-00ec-6910000000-82c80649afd47461f8de
Source of Spectrum X2-49-512-1
Synonyms 8-Methyl-8-azabicyclo[3.2.1]ocan-2'-yl p-methoxybenzoate (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methoxybenzoate
Wiley ID 1601891