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[2.2]paracyclophane-4-methyl(oxoacetate)
SpectraBase Compound ID I6PNtKYMeNZ
InChI InChI=1S/C19H18O3/c1-22-19(21)18(20)17-12-15-7-6-13-2-4-14(5-3-13)8-10-16(17)11-9-15/h2-5,9,11-12H,6-8,10H2,1H3
InChIKey ISIMSHCVNCELMF-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zHFls4CKQX
Name [2.2]paracyclophane-4-methyl(oxoacetate)
CAS Registry Number 108869-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-22-19(21)18(20)17-12-15-7-6-13-2-4-14(5-3-13)8-10-16(17)11-9-15/h2-5,9,11-12H,6-8,10H2,1H3
InChIKey ISIMSHCVNCELMF-UHFFFAOYSA-N
Molecular Weight 294.350 g/mol
SMILES C(c1c2CCc3ccc(CCc(c1)cc2)cc3)(C(=O)OC)=O
SPLASH splash10-0udi-2910000000-76ededc89c77aac0cb22
Source of Spectrum K-120-1827-5
Synonyms Methyl oxo[tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]acetate
Wiley ID 1297559