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4-methyl-N-[(R)-[(2R)-2-oxiranyl]-phenylmethyl]aniline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-methyl-N-[(R)-[(2R)-2-oxiranyl]-phenylmethyl]aniline
SpectraBase Compound ID KyHfbjqLhs4
InChI InChI=1S/C16H17NO/c1-12-7-9-14(10-8-12)17-16(15-11-18-15)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3/t15-,16+/m0/s1
InChIKey OADNSGSVRILQMQ-JKSUJKDBSA-N
Mol Weight 239.32 g/mol
Molecular Formula C16H17NO
Exact Mass 239.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8XzuDz4MUHI
Name 4-Methyl-N-[(R)-[(2R)-2-oxiranyl]-phenylmethyl]aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.131014170 u
Formula C16H17NO
InChI InChI=1S/C16H17NO/c1-12-7-9-14(10-8-12)17-16(15-11-18-15)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3/t15-,16+/m0/s1
InChIKey OADNSGSVRILQMQ-JKSUJKDBSA-N
Molecular Weight 239.318 g/mol
SMILES [C@]1(OC1)([C@](NC1=CC=C(C=C1)C)(C1=CC=CC=C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911318