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5,7-Dihydroxy-2-methyl-4-((S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)-4H-chromene-6,8-dicarbaldehyde
SpectraBase Compound ID G0DKT0usaZW
InChI InChI=1S/C21H22O5/c1-11(2)13-4-6-14(7-5-13)15-8-12(3)26-21-17(10-23)19(24)16(9-22)20(25)18(15)21/h6,8-10,13,15,24-25H,1,4-5,7H2,2-3H3/t13-,15?/m1/s1
InChIKey NEFAJZQVXWQYDX-AFYYWNPRSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDwVqmbexYv
Name 5,7-Dihydroxy-2-methyl-4-((S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)-4H-chromene-6,8-dicarbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.146723803 u
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-11(2)13-4-6-14(7-5-13)15-8-12(3)26-21-17(10-23)19(24)16(9-22)20(25)18(15)21/h6,8-10,13,15,24-25H,1,4-5,7H2,2-3H3/t13-,15?/m1/s1
InChIKey NEFAJZQVXWQYDX-AFYYWNPRSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 354.402 g/mol
Reported Formula C21H22O5
SMILES OC=1C(=C(C2=C(C1C=O)OC(=CC2C1=CC[C@](CC1)(C(=C)C)[H])C)O)C=O
SPLASH splash10-001i-0093000000-88f2517949a291714d31
Sample Comments dr = 5:4
Source of Spectrum QE-27-SM19-6Ek (DOI: 10.1002/chem.202102959)
Wiley ID 1904204