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2-(Hydroxymethyl)-3-chloro-1-isopropyl-5-phenylpyrrole
SpectraBase Compound ID K4inxsn1mzv
InChI InChI=1S/C14H16ClNO/c1-10(2)16-13(8-12(15)14(16)9-17)11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3
InChIKey LMNOVEJYTIQYMI-UHFFFAOYSA-N
Mol Weight 249.74 g/mol
Molecular Formula C14H16ClNO
Exact Mass 249.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jcdc5Tvvqk
Name 2-(Hydroxymethyl)-3-chloro-1-isopropyl-5-phenylpyrrole
Alternate Name(s) (3-chloro-1-isopropyl-5-phenyl-1H-pyrrol-2-yl)methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClNO
InChI InChI=1S/C14H16ClNO/c1-10(2)16-13(8-12(15)14(16)9-17)11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3
InChIKey LMNOVEJYTIQYMI-UHFFFAOYSA-N
Molecular Weight 249.741 g/mol
SMILES OCc1[n](c(cc1Cl)-c1ccccc1)C(C)C
SPLASH splash10-001l-0690000000-02e88ec0227f0f91a2ec
Source of Spectrum KC-61-4636-17
Wiley ID 1629047