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1H-Cyclopropa[de]-2-benzopyran-3a(3H)-carboxylic acid, 3b,6,6a,6b-tetrahydro-3-oxo-6a-[(phenylmethoxy)methyl]-, methyl ester, (3a.alpha.,3b.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID Idu91QjC7st
InChI InChI=1S/C19H20O5/c1-22-18(20)17-15-10-6-5-9-14(15)16(24-19(17)21)12-23-11-13-7-3-2-4-8-13/h2-9,15-17H,10-12H2,1H3/t15?,16-,17+/m0/s1
InChIKey RPYMDWAULBKXBE-LRUHZDSUSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WujDVlptGB
Name 1H-Cyclopropa[de]-2-benzopyran-3a(3H)-carboxylic acid, 3b,6,6a,6b-tetrahydro-3-oxo-6a-[(phenylmethoxy)methyl]-, methyl ester, (3a.alpha.,3b.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
CAS Registry Number 74269-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-22-18(20)17-15-10-6-5-9-14(15)16(24-19(17)21)12-23-11-13-7-3-2-4-8-13/h2-9,15-17H,10-12H2,1H3/t15?,16-,17+/m0/s1
InChIKey RPYMDWAULBKXBE-LRUHZDSUSA-N
Molecular Weight 328.364 g/mol
SMILES C1([C@](C2CC=CC=C2[C@@](O1)(COCc1ccccc1)[H])(C(=O)OC)[H])=O
SPLASH splash10-0006-9010000000-adb93599d5bc33bfa924
Source of Spectrum F-35-2394-0
Synonyms Methyl (1R,4R)-1-[(benzyloxy)methyl]-3-oxo-3,4,4a,5-tetrahydro-1H-2-benzopyran-4-carboxylate Methyl 1.alpha.-benzyloxymethyl-3-oxatricyclo[4.4.0.0(1,10)]deca-8-en-4-one-5.beta.-carboxylic acid
Wiley ID 1326334