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N-(Hexoxycarbonyl)norephedrine
SpectraBase Compound ID BCin9TQI8f8
InChI InChI=1S/C16H25NO3/c1-3-4-5-9-12-20-16(19)17-13(2)15(18)14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,3-5,9,12H2,1-2H3,(H,17,19)/t13-,15+/m1/s1
InChIKey NTSUUTBEKDVSSL-HIFRSBDPSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JINehhvLf8a
Name N-(Hexoxycarbonyl)norephedrine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 279.183443666 u
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-3-4-5-9-12-20-16(19)17-13(2)15(18)14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,3-5,9,12H2,1-2H3,(H,17,19)/t13-,15+/m1/s1
InChIKey NTSUUTBEKDVSSL-HIFRSBDPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 279.380 g/mol
Nominal Mass 279 u
Quality 956
Retention Index 2183
SMILES O[C@@]([C@](NC(OCCCCCC)=O)(C)[H])(C1=CC=CC=C1)[H]
SPLASH splash10-006x-9600000000-8fe9c395ed0b13fd080c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms hexyl ((1R,2R)-1-hydroxy-1-phenylpropan-2-yl)carbamate
Technique GC/MS
Wiley ID DD2024_007664