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4,9[1',2']-Benzeno-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2-(3-hydroxypropyl)-
SpectraBase Compound ID LiOwCZNCg5p
InChI InChI=1S/C21H19NO3/c23-11-5-10-22-20(24)18-16-12-6-1-2-7-13(12)17(19(18)21(22)25)15-9-4-3-8-14(15)16/h1-4,6-9,16-19,23H,5,10-11H2/t16-,17+,18?,19?
InChIKey ZQCJINJNMOGESA-LPOKXYRGSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zRaz3VU1ha
Name 4,9[1',2']-Benzeno-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2-(3-hydroxypropyl)-
CAS Registry Number 327078-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c23-11-5-10-22-20(24)18-16-12-6-1-2-7-13(12)17(19(18)21(22)25)15-9-4-3-8-14(15)16/h1-4,6-9,16-19,23H,5,10-11H2/t16-,17+,18?,19?
InChIKey ZQCJINJNMOGESA-LPOKXYRGSA-N
Molecular Weight 333.387 g/mol
SMILES OCCCN1C(C2C([C@]3(c4c([C@@]2(c2c3cccc2)[H])cccc4)[H])C1=O)=O
SPLASH splash10-004i-0900000000-6c22b4777dd624939b0b
Source of Spectrum AD-0-2532-0
Wiley ID 1427837