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2-Oxabicyclo[2.2.1]heptane, benzoic acid deriv.
SpectraBase Compound ID 1aIbNEIfncx
InChI InChI=1S/C13H13ClO3/c14-10-3-1-2-8(6-10)12(15)17-13-9-4-5-11(7-9)16-13/h1-3,6,9,11,13H,4-5,7H2/t9-,11+,13-/m0/s1
InChIKey KKWYXHGBWUEGJZ-NDMJEZRESA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EAYgrNhBKf
Name 2-Oxabicyclo[2.2.1]heptane, benzoic acid deriv.
CAS Registry Number 121236-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c14-10-3-1-2-8(6-10)12(15)17-13-9-4-5-11(7-9)16-13/h1-3,6,9,11,13H,4-5,7H2/t9-,11+,13-/m0/s1
InChIKey KKWYXHGBWUEGJZ-NDMJEZRESA-N
Molecular Weight 252.697 g/mol
SMILES [C@]1(OC(c2cc(Cl)ccc2)=O)(O[C@@]2([H])C[C@@]1(CC2)[H])[H]
SPLASH splash10-01pa-4900000000-933e434e8c45906e8af5
Source of Spectrum F-44-6216-17
Synonyms Benzoic acid, 3-chloro-, 2-oxabicyclo[2.2.1]hept-3-yl ester, (1S-exo)- (1S)-2-oxabicyclo[2.2.1]hept-3-yl 3-chlorobenzoate exo-2-oxabicyclo[2.2.1]hept-3-yl 3-chlorobenzanoate
Wiley ID 1255282