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1,6(2H,5H)-Isoquinolinedione, hexahydro-2-methyl-4a-phenyl-, trans-
SpectraBase Compound ID KWPWrqoBsBm
InChI InChI=1S/C16H19NO2/c1-17-10-9-16(12-5-3-2-4-6-12)11-13(18)7-8-14(16)15(17)19/h2-6,14H,7-11H2,1H3/t14-,16+/m1/s1
InChIKey DADHFQQTXQNRCB-ZBFHGGJFSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 284Ooj2KQRp
Name 1,6(2H,5H)-Isoquinolinedione, hexahydro-2-methyl-4a-phenyl-, trans-
CAS Registry Number 61210-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-17-10-9-16(12-5-3-2-4-6-12)11-13(18)7-8-14(16)15(17)19/h2-6,14H,7-11H2,1H3/t14-,16+/m1/s1
InChIKey DADHFQQTXQNRCB-ZBFHGGJFSA-N
Molecular Weight 257.333 g/mol
SMILES [C@]12([C@@](C(=O)N(CC2)C)(CCC(C1)=O)[H])c1ccccc1
SPLASH splash10-052f-9350000000-e215263c4299a8cd7fb6
Source of Spectrum C-98-6657-0
Wiley ID 1260918