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(rel-3aR,4R,7aS)-2-methyl-4-(prop-2-ynyl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 1NwZ15I7pSL
InChI InChI=1S/C14H15NO2/c1-4-6-10-9(5-2)7-8-11-12(10)14(17)15(3)13(11)16/h1,5,7,10-12H,2,6,8H2,3H3/t10-,11-,12+/m0/s1
InChIKey QNSOSATUQOZLMO-SDDRHHMPSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cwa8G4kibA
Name (rel-3aR,4R,7aS)-2-methyl-4-(prop-2-ynyl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Alternate Name(s) (3aR,4R,7aS)-2-methyl-4-(prop-2-yn-1-yl)-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (3aR,4R,7aS)-2-methyl-4-prop-2-ynyl-5-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,4R,7aS)-5-ethenyl-2-methyl-4-prop-2-ynyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c1-4-6-10-9(5-2)7-8-11-12(10)14(17)15(3)13(11)16/h1,5,7,10-12H,2,6,8H2,3H3/t10-,11-,12+/m0/s1
InChIKey QNSOSATUQOZLMO-SDDRHHMPSA-N
Literature Reference DOI 10.1021/ol702202b
Molecular Weight 229.279 g/mol
SMILES C1=C([C@@]([C@@]2([C@@](C(=O)N(C)C2=O)(C1)[H])[H])(CC#C)[H])C=C
SPLASH splash10-0a6r-0900000000-33e7b375b79e726f2678
Source of Spectrum A1-9-5163/SMS5-19
Wiley ID 1758767