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(1R,6R,7S)-6-(phenylmethyl)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester
SpectraBase Compound ID GmAEwel1iJW
InChI InChI=1S/C16H20O3/c1-2-18-15(17)13-14-16(13,9-6-10-19-14)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+,16+/m0/s1
InChIKey BQAIUSGTPCUMSF-SQWLQELKSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILkHfB0I60I
Name (1R,6R,7S)-6-(phenylmethyl)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-2-18-15(17)13-14-16(13,9-6-10-19-14)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+,16+/m0/s1
InChIKey BQAIUSGTPCUMSF-SQWLQELKSA-N
Molecular Weight 260.333 g/mol
SMILES [C@]12([C@](C(=O)OCC)([C@]2(OCCC1)[H])[H])Cc1ccccc1
SPLASH splash10-014i-2900000000-a75125091f896395cff0
Source of Spectrum J-63-6014-34
Synonyms (1R,6R,7S)-6-benzyl-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester Ethyl (1R,6R,7S)-6-(phenylmethyl)-2-oxabicyclo[4.1.0]heptane-7-carboxylate Ethyl (1R,6R,7S)-6-benzyl-2-oxabicyclo[4.1.0]heptane-7-carboxylate
Wiley ID 1264074