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1-Penten-3-ol, 4-(methylamino)-1-phenyl-, [R-[R*,S*-(E)]]-
SpectraBase Compound ID 6eK0uToAQ4d
InChI InChI=1S/C12H17NO/c1-10(13-2)12(14)9-8-11-6-4-3-5-7-11/h3-10,12-14H,1-2H3/b9-8+/t10-,12+/m0/s1
InChIKey DMIXAWVAFHJWNH-SEOINYINSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JR2VoeR9fRh
Name 1-Penten-3-ol, 4-(methylamino)-1-phenyl-, [R-[R*,S*-(E)]]-
CAS Registry Number 116174-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-10(13-2)12(14)9-8-11-6-4-3-5-7-11/h3-10,12-14H,1-2H3/b9-8+/t10-,12+/m0/s1
InChIKey DMIXAWVAFHJWNH-SEOINYINSA-N
Molecular Weight 191.274 g/mol
SMILES N([C@]([C@@](\C=C\c1ccccc1)(O)[H])(C)[H])C
SPLASH splash10-0a4i-9000000000-ca56817a360c0a9ca39a
Source of Spectrum H-70-1790-8
Synonyms (+)-N-Methylmerucathin (1E,3R,4S)-4-(methylamino)-1-phenyl-1-penten-3-ol (3R,4S)-4-(methylamino)-1-phenylpent-1-en-3-ol N-Methylmerucathine
Wiley ID 1187689