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Roxatidine

View entire compound with spectra: 2 MS (GC)

Roxatidine
SpectraBase Compound ID BlpLnYd02NQ
InChI InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)
InChIKey BCCREUFCSIMJFS-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C17H26N2O3
Exact Mass 306.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WcSoSRH8S0
Name ROXATIDINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H26N2O3
InChI InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)
InChIKey BCCREUFCSIMJFS-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 306.406 g/mol
SMILES N(C(CO)=O)CCCOc1cc(CN2CCCCC2)ccc1
SPLASH splash10-00lr-9601000000-a133433ded712bfc7ac7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany