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Spiro[cyclohex-2-ene-1,9'-[9H-1,3]dioxolo[4,5-h][2]benzazepine]-6'(5' H)-carboxylic acid, 5-bromo-7',8'-dihydro-4-oxo-, phenylmethyl ester

View entire compound with spectra: 1 MS (GC)

Spiro[cyclohex-2-ene-1,9'-[9H-1,3]dioxolo[4,5-h][2]benzazepine]-6'(5' H)-carboxylic acid, 5-bromo-7',8'-dihydro-4-oxo-, phenylmethyl ester
SpectraBase Compound ID LmMvfcPl2e0
InChI InChI=1S/C24H22BrNO5/c25-22-18-12-20-21(31-15-30-20)13-19(18)24(8-6-17(27)7-9-24)10-11-26(22)23(28)29-14-16-4-2-1-3-5-16/h1-6,8,12-13,22H,7,9-11,14-15H2
InChIKey YNWFNOSWVQIHCD-UHFFFAOYSA-N
Mol Weight 484.35 g/mol
Molecular Formula C24H22BrNO5
Exact Mass 483.068136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bw6rtoUbDrp
Name Spiro[cyclohex-2-ene-1,9'-[9H-1,3]dioxolo[4,5-h][2]benzazepine]-6'(5' H)-carboxylic acid, 5-bromo-7',8'-dihydro-4-oxo-, phenylmethyl ester
CAS Registry Number 87697-94-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22BrNO5
InChI InChI=1S/C24H22BrNO5/c25-22-18-12-20-21(31-15-30-20)13-19(18)24(8-6-17(27)7-9-24)10-11-26(22)23(28)29-14-16-4-2-1-3-5-16/h1-6,8,12-13,22H,7,9-11,14-15H2
InChIKey YNWFNOSWVQIHCD-UHFFFAOYSA-N
Molecular Weight 484.346 g/mol
SMILES C1(N(CCC2(c3c1cc1c(c3)OCO1)C=CC(CC2)=O)C(OCc1ccccc1)=O)Br
SPLASH splash10-0006-9006100000-c1b8b2917885af39b41a
Source of Spectrum C-105-7643-0
Synonyms (+-)-6'-Bromo-2-carbobenzoxy-7,8-(methylenedioxy)-2,3,4,5-tetra-hydrospiro(1H-2-benzapine-5,4'-cyclohexenone) benzyl 14'-bromo-4-oxo-4',6'-dioxa-13'-azaspiro[cyclohexane-1,10'-tricyclo[7.5.0.0(3,7)]tetradecane]-1'(9'),2,2',7'-tetraene-13'-carboxylate
Wiley ID 1395796