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Isoquinoline-5,6,7,8-D4, 2-acetyl-1,2,3,4-tetrahydro-
SpectraBase Compound ID G7nRyWXHuiR
InChI InChI=1S/C11H13NO/c1-9(13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5H,6-8H2,1H3/i2D,3D,4D,5D
InChIKey JBPPSLURCSFQDH-QFFDRWTDSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H9D4NO
Exact Mass 179.124821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTQdbJ9nGhc
Name Isoquinoline-5,6,7,8-D4, 2-acetyl-1,2,3,4-tetrahydro-
Alternate Name(s) N-Acetyl-5,6,7,8-tetradeuterio-1,2,3,4-tetrahydroisoquinoline
CAS Registry Number 67519-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9D4NO
InChI InChI=1S/C11H13NO/c1-9(13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5H,6-8H2,1H3/i2D,3D,4D,5D
InChIKey JBPPSLURCSFQDH-QFFDRWTDSA-N
Molecular Weight 179.255 g/mol
SMILES C(N1Cc2c(c([D])c(c(c2CC1)[D])[D])[D])(=O)C
SPLASH splash10-0adr-4900000000-0bd0e499a80c75514fe2
Source of Spectrum H-61-1747-0
Wiley ID 1171654