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4-Chloro-α-ppp hydrochloride

View entire compound with spectra: 1 Raman

4-Chloro-α-ppp hydrochloride
SpectraBase Compound ID CHjIqGWhLrv
InChI InChI=1S/C13H16ClNO.ClH/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11;/h4-7,10H,2-3,8-9H2,1H3;1H
InChIKey PHDAQPTYJWNZGQ-UHFFFAOYSA-N
Mol Weight 274.19 g/mol
Molecular Formula C13H17Cl2NO
Exact Mass 273.06872 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 56wIsk60m8H
Name 4-Chloro-α-ppp hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.068719570 u
Formula C13H17Cl2NO
InChI InChI=1S/C13H16ClNO.ClH/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11;/h4-7,10H,2-3,8-9H2,1H3;1H
InChIKey PHDAQPTYJWNZGQ-UHFFFAOYSA-N
Molecular Weight 274.191 g/mol
SMILES Cl.C=1C(=CC=C(C1)Cl)C(C(C)N1CCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.97317