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Isoquinoline, 1-(phenylmethyl)-
SpectraBase Compound ID IyydPVRmXa4
InChI InChI=1S/C16H13N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2
InChIKey IZTUINVRJSCOIR-UHFFFAOYSA-N
Mol Weight 219.29 g/mol
Molecular Formula C16H13N
Exact Mass 219.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMxtYFfN6zK
Name Isoquinoline, 1-(phenylmethyl)-
CAS Registry Number 6907-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N
InChI InChI=1S/C16H13N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2
InChIKey IZTUINVRJSCOIR-UHFFFAOYSA-N
Molecular Weight 219.287 g/mol
SMILES c1ccc(cc1)Cc1c2ccccc2ccn1
SPLASH splash10-014i-4890000000-ee5537fa7d81df361c64
Source of Spectrum SD-1981-0-0
Synonyms 1-Benzylisoquinoline 1-(Phenylmethyl)isoquinoline Isoquinoline, 1-benzyl-
Wiley ID 1219107