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methyl 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropan]-2(3H)-yl)benzoate
SpectraBase Compound ID DrZFMquSZqG
InChI InChI=1S/C19H17NO4/c1-24-18(23)10-3-2-4-11(9-10)20-16(21)14-12-5-6-13(15(14)17(20)22)19(12)7-8-19/h2-6,9,12-15H,7-8H2,1H3/t12-,13+,14?,15?
InChIKey JJWXQESESDNASB-DGKWVBSXSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3U0dLJ0XRBa
Name Benzoic acid, 3-(1,3,3a,4,7,7a(2H)-hexahydro-4,7-cyclopropylidene-1,3-dioxoisoindol-2-yl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-24-18(23)10-3-2-4-11(9-10)20-16(21)14-12-5-6-13(15(14)17(20)22)19(12)7-8-19/h2-6,9,12-15H,7-8H2,1H3/t12-,13+,14?,15?
InChIKey JJWXQESESDNASB-DGKWVBSXSA-N
Molecular Weight 323.348 g/mol
SMILES COC(c1cc(N2C(C3[C@@]4(C=C[C@@](C44CC4)(C3C2=O)[H])[H])=O)ccc1)=O
SPLASH splash10-0006-9200000000-f0477d2f9de72b0bc041
Source of Spectrum AD-0-2532-0
Wiley ID 1426683