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Methyl (2-oxo-1,2,3,4-tetrahydro-1-naphthalenyl)acetate
SpectraBase Compound ID 4wijfo51WlO
InChI InChI=1S/C13H14O3/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-5,11H,6-8H2,1H3
InChIKey AVLHEBLMJQSCNH-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcYWzgk7Gg2
Name Methyl (2-oxo-1,2,3,4-tetrahydro-1-naphthalenyl)acetate
CAS Registry Number 2808-12-0
Comments Note: The molecular formula of the structure shown is C13H14O3 - which differs from the formula reported for the mass spectrum (C13H13DO3)
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Formula C13H13DO3
InChI InChI=1S/C13H14O3/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-5,11H,6-8H2,1H3
InChIKey AVLHEBLMJQSCNH-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES c1c2c(ccc1)CCC(C2CC(=O)OC)=O
SPLASH splash10-0670-1900000000-a37c303b5bdb55e37870
Synonyms 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester 2-(2-ketotetralin-1-yl)acetic acid methyl ester 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)acetic acid methyl ester Methyl 2-(2-oxidanylidene-3,4-dihydro-1H-naphthalen-1-yl)ethanoate Methyl 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)acetate Methyl 2-(2-oxotetralin-1-yl)acetate
Wiley ID 1488920