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2H-Phenanthro[9,10-b]pyran-4-carboxylic acid, 2-ethoxy-3,4-dihydro-, ethyl ester, trans-
SpectraBase Compound ID KWVxddz5ls1
InChI InChI=1S/C22H22O4/c1-3-24-19-13-18(22(23)25-4-2)20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)21(20)26-19/h5-12,18-19H,3-4,13H2,1-2H3/t18-,19+/m1/s1
InChIKey PDUFIAUGRXNKMP-MOPGFXCFSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B83GGwwu7r1
Name 2H-Phenanthro[9,10-b]pyran-4-carboxylic acid, 2-ethoxy-3,4-dihydro-, ethyl ester, trans-
Alternate Name(s) Ethyl (2S,4R)-2-ethoxy-3,4-dihydro-2H-dibenzo[f,h]chromene-4-carboxylate trans-ethyl 2-ethoxy-3,4-dihydro-2H-phenanthro[9,10-b]-pyran-4-carboxylate
CAS Registry Number 137676-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-3-24-19-13-18(22(23)25-4-2)20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)21(20)26-19/h5-12,18-19H,3-4,13H2,1-2H3/t18-,19+/m1/s1
InChIKey PDUFIAUGRXNKMP-MOPGFXCFSA-N
Molecular Weight 350.414 g/mol
SMILES c12c(c3ccccc3c3c2cccc3)O[C@@](C[C@]1(C(=O)OCC)[H])(OCC)[H]
SPLASH splash10-0ue9-0296000000-af563488590dc506cdbf
Source of Spectrum KC-1990-2131-22
Wiley ID 1342196