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Isoquinoline-1,3-d2
SpectraBase Compound ID ClVH40lZYOz
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H/i6D,7D
InChIKey AWJUIBRHMBBTKR-QFIQSOQBSA-N
Mol Weight 131.17 g/mol
Molecular Formula C9H5D2N
Exact Mass 131.070403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29jNCSaeNcW
Name Isoquinoline-1,3-d2
CAS Registry Number 130720-97-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5D2N
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H/i6D,7D
InChIKey AWJUIBRHMBBTKR-QFIQSOQBSA-N
Molecular Weight 131.174 g/mol
SMILES c1(nc(cc2ccccc12)[D])[D]
SPLASH splash10-001i-0900000000-cd035e2dd9c8f248042d
Source of Spectrum F-46-5062-4
Synonyms 1,3-Dideuterioisoquinoline 1,3-Dideutero-isoquinoline
Wiley ID 1132263