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Isoquinoline
SpectraBase Compound ID CEvmZr1lIK2
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FudNqw7qLZ
Name Isoquinoline
CAS Registry Number 119-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
Molecular Weight 129.162 g/mol
SMILES c1ccc2c(c1)cncc2
SPLASH splash10-0fb9-7900000000-d5b2d519fac9ce20fa67
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886548