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3H-Cyclobut[b]indole-1,2-dicarboxylic acid, 3-acetyl-2a,7b-dihydro-2a,7b-dimethyl-, dimethyl ester
SpectraBase Compound ID ECw8Uoen54d
InChI InChI=1S/C18H19NO5/c1-10(20)19-12-9-7-6-8-11(12)17(2)13(15(21)23-4)14(16(22)24-5)18(17,19)3/h6-9H,1-5H3
InChIKey JJMAOZZZFFLXBH-UHFFFAOYSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdQR0qkopjB
Name 3H-Cyclobut[b]indole-1,2-dicarboxylic acid, 3-acetyl-2a,7b-dihydro-2a,7b-dimethyl-, dimethyl ester
CAS Registry Number 126680-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-10(20)19-12-9-7-6-8-11(12)17(2)13(15(21)23-4)14(16(22)24-5)18(17,19)3/h6-9H,1-5H3
InChIKey JJMAOZZZFFLXBH-UHFFFAOYSA-N
Molecular Weight 329.352 g/mol
SMILES C12(C(C(=O)OC)=C(C2(c2ccccc2N1C(=O)C)C)C(=O)OC)C
SPLASH splash10-03dj-0693000000-0e3bda4898e20b5182c6
Source of Spectrum Y-27-858-6
Synonyms 6,7-bis(methoxycarbonyl)-1,5-dimethyl-2-acetyl-3,4-benzo-2-azabicyclo[3.2.0]hepta-3,6-diene Dimethyl 3-acetyl-2a,7b-dimethyl-3,7b-dihydro-2aH-cyclobuta[b]indole-1,2-dicarboxylate
Wiley ID 1327107