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Benzo[f]isoindol-1,3-dione, 1,3,3a,4,9,9a-hexahydro-4,9-O-benzeno-2-(2-propoxyphenyl)-
SpectraBase Compound ID ETt7vDk4lP3
InChI InChI=1S/C27H23NO3/c1-2-15-31-21-14-8-7-13-20(21)28-26(29)24-22-16-9-3-4-10-17(16)23(25(24)27(28)30)19-12-6-5-11-18(19)22/h3-14,22-25H,2,15H2,1H3/t22-,23+,24?,25?
InChIKey QYWIATOAMKSRHN-KFULVZMISA-N
Mol Weight 409.49 g/mol
Molecular Formula C27H23NO3
Exact Mass 409.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cdh6RZDpulV
Name Benzo[f]isoindol-1,3-dione, 1,3,3a,4,9,9a-hexahydro-4,9-O-benzeno-2-(2-propoxyphenyl)-
CAS Registry Number 299969-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO3
InChI InChI=1S/C27H23NO3/c1-2-15-31-21-14-8-7-13-20(21)28-26(29)24-22-16-9-3-4-10-17(16)23(25(24)27(28)30)19-12-6-5-11-18(19)22/h3-14,22-25H,2,15H2,1H3/t22-,23+,24?,25?
InChIKey QYWIATOAMKSRHN-KFULVZMISA-N
Molecular Weight 409.485 g/mol
SMILES c1cc(c(N2C(C3[C@]4(c5ccccc5[C@@](C3C2=O)(c2ccccc42)[H])[H])=O)cc1)OCCC
SPLASH splash10-004i-1900100000-f0c786fd8578c9c8c6fe
Source of Spectrum AD-0-2532-0
Wiley ID 1419866