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Benzoic acid, 2-(3,4-dihydro-1H-2-benzopyran-1-yl)-, (R)-
SpectraBase Compound ID BBZ5n6Z0OiU
InChI InChI=1S/C16H14O3/c17-16(18)14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-19-15/h1-8,15H,9-10H2,(H,17,18)/t15-/m1/s1
InChIKey QMYJFWGHZUIJSB-OAHLLOKOSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IdJWYwyRjv
Name Benzoic acid, 2-(3,4-dihydro-1H-2-benzopyran-1-yl)-, (R)-
Alternate Name(s) (1'R)-2-(1'-Isochromenyl)-benzoic acid 2-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]benzoic acid
CAS Registry Number 115475-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c17-16(18)14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-19-15/h1-8,15H,9-10H2,(H,17,18)/t15-/m1/s1
InChIKey QMYJFWGHZUIJSB-OAHLLOKOSA-N
Molecular Weight 254.285 g/mol
SMILES OC(c1c([C@]2(c3c(cccc3)CCO2)[H])cccc1)=O
SPLASH splash10-053i-0790000000-8504dfac3ccbaeff1766
Source of Spectrum F-43-4966-78
Wiley ID 1258074