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1-(N-Propylaminomethyl)cyclobutabenzene
SpectraBase Compound ID HX2dQGHl7Th
InChI InChI=1S/C12H17N/c1-2-7-13-9-11-8-10-5-3-4-6-12(10)11/h3-6,11,13H,2,7-9H2,1H3
InChIKey DFDWKPOCISJEGP-UHFFFAOYSA-N
Mol Weight 175.27 g/mol
Molecular Formula C12H17N
Exact Mass 175.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHLFpABthDs
Name 1-(N-Propylaminomethyl)cyclobutabenzene
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 175.136099551 u
Formula C12H17N
InChI InChI=1S/C12H17N/c1-2-7-13-9-11-8-10-5-3-4-6-12(10)11/h3-6,11,13H,2,7-9H2,1H3
InChIKey DFDWKPOCISJEGP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 175.275 g/mol
Nominal Mass 175 u
Quality 991
Retention Index 1400
SMILES C=12C(CC2=CC=CC1)CNCCC
SPLASH splash10-00di-9200000000-3b418033368fa6372f4d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(bicyclo[4.2.0]octa-1,3,5-trien-7-ylmethyl)propan-1-amine
Technique GC/MS
Wiley ID DD2024_005506