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(2R,3aR,5S)-Ethyl 2-(Hydroxymethyl)-5-phenylhexahydrobenzofuran-7-carboxylate
SpectraBase Compound ID 397kSmQTMPL
InChI InChI=1S/C18H22O4/c1-2-21-18(20)16-10-13(12-6-4-3-5-7-12)8-14-9-15(11-19)22-17(14)16/h3-7,10,13-15,17,19H,2,8-9,11H2,1H3/t13-,14+,15+,17?/m0/s1
InChIKey OKAYTEODQBJHFA-HGJUEJOTSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CVygL3oOos
Name (2R,3aR,5S)-Ethyl 2-(Hydroxymethyl)-5-phenylhexahydrobenzofuran-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-2-21-18(20)16-10-13(12-6-4-3-5-7-12)8-14-9-15(11-19)22-17(14)16/h3-7,10,13-15,17,19H,2,8-9,11H2,1H3/t13-,14+,15+,17?/m0/s1
InChIKey OKAYTEODQBJHFA-HGJUEJOTSA-N
Molecular Weight 302.370 g/mol
SMILES OC[C@@]1(OC2C(=C[C@](C[C@@]2(C1)[H])(c1ccccc1)[H])C(=O)OCC)[H]
SPLASH splash10-0f7k-0904000000-a0cd6e2f03ffa9beaae8
Source of Spectrum QE-7-571-4
Synonyms Ethyl (2R,3aR,5S)-2-(hydroxymethyl)-5-phenyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-7-carboxylate Ethyl 2-(Hydroxymethyl)-5-phenylhexahydrobenzofuran-7-carboxylate
Wiley ID 845271