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5,7-Diethyl-3a,4,7,7a-tetrahydro-2-methyl-4-(prop-2-ynyloxy)-2H-isoindol-1,3-dione
SpectraBase Compound ID 8aq7rhA6ZDE
InChI InChI=1S/C16H21NO3/c1-5-8-20-14-11(7-3)9-10(6-2)12-13(14)16(19)17(4)15(12)18/h1,9-10,12-14H,6-8H2,2-4H3
InChIKey ORVBDBXPTGPHCM-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i9XqNf4uoo
Name 5,7-Diethyl-3a,4,7,7a-tetrahydro-2-methyl-4-(prop-2-ynyloxy)-2H-isoindol-1,3-dione
Alternate Name(s) 5,7-Diethyl-2-methyl-4-(2-propynyloxy)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-5-8-20-14-11(7-3)9-10(6-2)12-13(14)16(19)17(4)15(12)18/h1,9-10,12-14H,6-8H2,2-4H3
InChIKey ORVBDBXPTGPHCM-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES C1(N(C(C2C(C(=CC(C12)CC)CC)OCC#C)=O)C)=O
SPLASH splash10-056u-9530000000-c18e1ea8d4e89d03c0f7
Source of Spectrum KC-61-11342-17
Wiley ID 1631326