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Indolo[4,3-ef][2,1]benzisoxazole-9-carboxylic acid, 4,6,6a,7,9,9a-hexahydro-7-methyl-, methyl ester, (6a.alpha.,9.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID CWsM5T0Rm3L
InChI InChI=1S/C15H16N2O3/c1-17-11-6-8-7-16-10-5-3-4-9(12(8)10)13(11)14(20-17)15(18)19-2/h3-5,7,11,13-14,16H,6H2,1-2H3/t11-,13+,14+/m0/s1
InChIKey JMVGKYXLVHLCLR-IACUBPJLSA-N
Mol Weight 272.3 g/mol
Molecular Formula C15H16N2O3
Exact Mass 272.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kiw6NXVCh5W
Name Indolo[4,3-ef][2,1]benzisoxazole-9-carboxylic acid, 4,6,6a,7,9,9a-hexahydro-7-methyl-, methyl ester, (6a.alpha.,9.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 76084-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O3
InChI InChI=1S/C15H16N2O3/c1-17-11-6-8-7-16-10-5-3-4-9(12(8)10)13(11)14(20-17)15(18)19-2/h3-5,7,11,13-14,16H,6H2,1-2H3/t11-,13+,14+/m0/s1
InChIKey JMVGKYXLVHLCLR-IACUBPJLSA-N
Molecular Weight 272.304 g/mol
SMILES [nH]1cc2c3c1cccc3[C@@]1([C@](C2)(N(O[C@]1(C(=O)OC)[H])C)[H])[H]
SPLASH splash10-0fk9-0790000000-7498dfb37f14d5c44352
Source of Spectrum F-39-3702-0
Synonyms Methyl (6aS,9R,9aR)-7-methyl-4,6,6a,7,9,9a-hexahydroindolo[4,3-ef][2,1]benzisoxazole-9-carboxylate Methyl(6aR*,9S*,9aS*)-4,6,6a,7,9,9a-hexahydro-7-methylindolo[4,3-ef][2,1]benzisoxazole-9-carboxylate
Wiley ID 1276118