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1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-5-(3-methyl-1-oxo-2-butenyl)-, cis-
SpectraBase Compound ID CgqGeucIUl4
InChI InChI=1S/C14H17NO3/c1-8(2)6-12(16)9-4-5-10-11(7-9)14(18)15(3)13(10)17/h4,6,10-11H,5,7H2,1-3H3/t10-,11+/m1/s1
InChIKey DCDJXOCVNZZFCQ-MNOVXSKESA-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 FxHh4szOFiV
Name 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-5-(3-methyl-1-oxo-2-butenyl)-, cis-
CAS Registry Number 112091-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-8(2)6-12(16)9-4-5-10-11(7-9)14(18)15(3)13(10)17/h4,6,10-11H,5,7H2,1-3H3/t10-,11+/m1/s1
InChIKey DCDJXOCVNZZFCQ-MNOVXSKESA-N
Molecular Weight 247.294 g/mol
SMILES C1(N(C([C@@]2(CC=C(C[C@]12[H])C(C=C(C)C)=O)[H])=O)C)=O
SPLASH splash10-004i-9400000000-1a0f39d7b34366f221f6
Source of Spectrum AJ-60-331-11
Synonyms (3aS,7aR)-2-methyl-5-(3-methyl-2-butenoyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 3-(e-1-oxo-3-methyl-2-butenyl)-8-methyl-8-azabicyclo[4.3.0]nona-3-en-7,9-dione
Wiley ID 1250062