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1H-Isoindol-1-one, 2,3,3a,4,7,7a-hexahydro-7-(hydroxymethyl)-4,5-dimethyl-3-(phenylmethyl)-
SpectraBase Compound ID IoOnFF7OkUP
InChI InChI=1S/C18H23NO2/c1-11-8-14(10-20)17-16(12(11)2)15(19-18(17)21)9-13-6-4-3-5-7-13/h3-8,12,14-17,20H,9-10H2,1-2H3,(H,19,21)
InChIKey RLKUERWPNALKJW-UHFFFAOYSA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99YBmOwM2YZ
Name 1H-Isoindol-1-one, 2,3,3a,4,7,7a-hexahydro-7-(hydroxymethyl)-4,5-dimethyl-3-(phenylmethyl)-
CAS Registry Number 69804-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-11-8-14(10-20)17-16(12(11)2)15(19-18(17)21)9-13-6-4-3-5-7-13/h3-8,12,14-17,20H,9-10H2,1-2H3,(H,19,21)
InChIKey RLKUERWPNALKJW-UHFFFAOYSA-N
Molecular Weight 285.387 g/mol
SMILES N1C(C2C(C(=CC(CO)C2C1=O)C)C)Cc1ccccc1
SPLASH splash10-0007-9720000000-354f7048d799af23e9b8
Source of Spectrum KC-1978-1506-0
Synonyms 3-Benzyl-7-(hydroxymethyl)-4,5-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-one 7-Benzyl-2-hydroxymethyl-4,5-dimethyl-8-azabicyclo(4.3.0)non-3-en-9-one
Wiley ID 1289110