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(3S,5R)-3-(Methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

View entire compound with spectra: 1 FTIR

(3S,5R)-3-(Methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SpectraBase Compound ID 5HtdAJf7eBV
InChI InChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3/t8-,10+/m0/s1
InChIKey JWUPWOYNGNTOKD-WCBMZHEXSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID RIy2jkITEH
Name (3S,5R)-3-(Methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.110278725 u
Formula C11H15NO2
InChI InChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3/t8-,10+/m0/s1
InChIKey JWUPWOYNGNTOKD-WCBMZHEXSA-N
Molecular Weight 193.246 g/mol
SMILES [C@]1(NC)(COC2=C(C=CC=C2)[C@@](C1)(O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959143