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(R)-2-(Isopropoxy(thiophen-3-yl)methyl)-N-methylaniline
SpectraBase Compound ID DRbpWQ3dTXn
InChI InChI=1S/C15H19NOS/c1-11(2)17-15(12-8-9-18-10-12)13-6-4-5-7-14(13)16-3/h4-11,15-16H,1-3H3/t15-/m0/s1
InChIKey KWULTCSJZFUDNU-HNNXBMFYSA-N
Mol Weight 261.38 g/mol
Molecular Formula C15H19NOS
Exact Mass 261.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jiNqMNMHc
Name (R)-2-(Isopropoxy(thiophen-3-yl)methyl)-N-methylaniline
Appearance Yellow oil
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Exact Mass 261.118735409 u
Formula C15H19NOS
InChI InChI=1S/C15H19NOS/c1-11(2)17-15(12-8-9-18-10-12)13-6-4-5-7-14(13)16-3/h4-11,15-16H,1-3H3/t15-/m0/s1
InChIKey KWULTCSJZFUDNU-HNNXBMFYSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Molecular Weight 261.383 g/mol
Optical Rotation [a]D(RT) = +2.4 (c = 0.6, CHCl3)
Quality 75
Reported Formula C15H19NOS
SMILES N(C1=C(C=CC=C1)[C@](C1=CSC=C1)(OC(C)C)[H])C
SPLASH splash10-0udi-0190000000-7ffdf72f64559219b1b8
Sample Comments 89% ee
Source of Spectrum ACI-55-SM18-3j (DOI: 10.1002/anie.201511179)
Wiley ID 1897293