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N1-1 (Notopterol)

View entire compound with spectra: 1 MS (GC)

N1-1 (Notopterol)
SpectraBase Compound ID FRMMApjak0C
InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
InChIKey BKIACVAZUKISOR-MKMNVTDBSA-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 DnxwSklCk3e
Name N1-1 (Notopterol)
Alternate Name(s) 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-7-furo[3,2-g][1]benzopyranone 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one 4-[(2E)-3,7-dimethyl-5-oxidanyl-octa-2,6-dienoxy]furo[3,2-g]chromen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
InChIKey BKIACVAZUKISOR-MKMNVTDBSA-N
Molecular Weight 354.402 g/mol
SMILES OC(C=C(C)C)C\C(=C\COc1c2c(occ2)cc2c1C=CC(=O)O2)C
SPLASH splash10-0uk9-0980000000-8d3c82af66231c73bc3a
Source of Spectrum E1-41-929-1
Wiley ID 1552059