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3a,4,7,7a-Tetrahydro-2,5,7-trimethyl-4-(prop-2-ynyloxy)-2H-isoindol-1,3-dione
SpectraBase Compound ID IYXn9a8A6zI
InChI InChI=1S/C14H17NO3/c1-5-6-18-12-9(3)7-8(2)10-11(12)14(17)15(4)13(10)16/h1,7-8,10-12H,6H2,2-4H3
InChIKey VAUYXEWUNUBIPY-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF4OsKCml8C
Name 3a,4,7,7a-Tetrahydro-2,5,7-trimethyl-4-(prop-2-ynyloxy)-2H-isoindol-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-5-6-18-12-9(3)7-8(2)10-11(12)14(17)15(4)13(10)16/h1,7-8,10-12H,6H2,2-4H3
InChIKey VAUYXEWUNUBIPY-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C1(N(C(C2C(C(=CC(C12)C)C)OCC#C)=O)C)=O
SPLASH splash10-052r-6910000000-4b3690fa48a2cdd81286
Source of Spectrum KC-61-11342-16
Synonyms 2,5,7-trimethyl-4-(2-propynyloxy)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Wiley ID 1631327