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1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-6-methyl-4-(1-methyl-1H-indol-3-yl)-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 2019CgdSCUe
InChI InChI=1S/C18H17NO3/c1-10-7-12(16-13(8-10)17(20)22-18(16)21)14-9-19(2)15-6-4-3-5-11(14)15/h3-7,9,12-13,16H,8H2,1-2H3/t12-,13-,16+/m1/s1
InChIKey SHLCFLUIXBXJRR-IOASZLSFSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1HP1UZrn8O
Name 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-6-methyl-4-(1-methyl-1H-indol-3-yl)-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 131939-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-10-7-12(16-13(8-10)17(20)22-18(16)21)14-9-19(2)15-6-4-3-5-11(14)15/h3-7,9,12-13,16H,8H2,1-2H3/t12-,13-,16+/m1/s1
InChIKey SHLCFLUIXBXJRR-IOASZLSFSA-N
Molecular Weight 295.338 g/mol
SMILES c1([C@@]2([C@@]3(C(OC([C@]3([H])CC(=C2)C)=O)=O)[H])[H])c[n](C)c2c1cccc2
SPLASH splash10-0002-0940000000-7e422addf28cb816d5c0
Source of Spectrum KC-1990-2495-34
Synonyms (1RS,2SR,3SR)-5-methyl-3-(1'-methylindol-3'-yl)cyclohex-4-ene-1,2-dicarboxylic anhydride (3aS,4S,7aR)-6-methyl-4-(1-methyl-1H-indol-3-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Wiley ID 1298326