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1-(3')-indolyl-3-methyl-2-cyclohexene-5,6-dicarboxylic anhydride
SpectraBase Compound ID KmKIuSLRbK3
InChI InChI=1S/C17H15NO3/c1-9-6-11(15-12(7-9)16(19)21-17(15)20)13-8-18-14-5-3-2-4-10(13)14/h2-6,8,11-12,15,18H,7H2,1H3/t11-,12-,15+/m1/s1
InChIKey HVNQHVZKFAPUFB-JMSVASOKSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H15NO3
Exact Mass 281.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FOIIIc65Es
Name 1-(3')-indolyl-3-methyl-2-cyclohexene-5,6-dicarboxylic anhydride
Alternate Name(s) 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-(1H-indol-3-yl)-6-methyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)- (1RS,2SR,3SR)-3-(Indol-3'-yl)-5-methylcyclohex-4-ene-1,2-dicarboxylic Anhydride (3aS,4S,7aR)-4-(1H-indol-3-yl)-6-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS Registry Number 114907-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO3
InChI InChI=1S/C17H15NO3/c1-9-6-11(15-12(7-9)16(19)21-17(15)20)13-8-18-14-5-3-2-4-10(13)14/h2-6,8,11-12,15,18H,7H2,1H3/t11-,12-,15+/m1/s1
InChIKey HVNQHVZKFAPUFB-JMSVASOKSA-N
Molecular Weight 281.311 g/mol
SMILES [nH]1c2c(c(c1)[C@@]1([C@@]3(C(OC(=O)[C@@]3(CC(C)=C1)[H])=O)[H])[H])cccc2
SPLASH splash10-001i-0930000000-116bc066138dd84aea09
Source of Spectrum KC-1990-2494-32
Wiley ID 1284991