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1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-(1H-indol-3-yl)-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID L0iLSIGK6LK
InChI InChI=1S/C16H13NO3/c18-15-11-6-3-5-10(14(11)16(19)20-15)12-8-17-13-7-2-1-4-9(12)13/h1-5,7-8,10-11,14,17H,6H2/t10-,11-,14+/m1/s1
InChIKey WSANHMYRIXFLGB-GYSYKLTISA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVadDYOaogN
Name 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-(1H-indol-3-yl)-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
Alternate Name(s) (3aS,4S,7aR)-4-(1H-indol-3-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione 1-(3')-indolyl-2-cyclohexene-5,6-dicarboxylic anhydride
CAS Registry Number 114907-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c18-15-11-6-3-5-10(14(11)16(19)20-15)12-8-17-13-7-2-1-4-9(12)13/h1-5,7-8,10-11,14,17H,6H2/t10-,11-,14+/m1/s1
InChIKey WSANHMYRIXFLGB-GYSYKLTISA-N
Molecular Weight 267.284 g/mol
SMILES [nH]1c2c(c(c1)[C@@]1([C@@]3(C(OC(=O)[C@@]3(CC=C1)[H])=O)[H])[H])cccc2
SPLASH splash10-014i-0920000000-ece95ce015b275b08187
Source of Spectrum J-53-3176-19
Wiley ID 1271254