For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(1S,3R,4R)-5-chloro-4-hydroxy-8-methoxy-1-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]acetic acid methyl ester
SpectraBase Compound ID 8ktuAZXPRwU
InChI InChI=1S/C14H17ClO5/c1-7-12-9(18-2)5-4-8(15)13(12)14(17)10(20-7)6-11(16)19-3/h4-5,7,10,14,17H,6H2,1-3H3/t7-,10+,14-/m0/s1
InChIKey AEJHLISAHIRDMA-WLGBHJCYSA-N
Mol Weight 300.74 g/mol
Molecular Formula C14H17ClO5
Exact Mass 300.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 91KD75Uj8a4
Name 2-[(1S,3R,4R)-5-chloro-4-hydroxy-8-methoxy-1-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]acetic acid methyl ester
Alternate Name(s) 2-[(1S,3R,4R)-5-chloro-4-hydroxy-8-methoxy-1-methyl-isochroman-3-yl]acetic acid methyl ester Methyl 2-[(1S,3R,4R)-5-chloranyl-8-methoxy-1-methyl-4-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]ethanoate Methyl 2-[(1S,3R,4R)-5-chloro-4-hydroxy-8-methoxy-1-methyl-3,4-dihydro-1H-isochromen-3-yl]acetate Methyl 2-[(1S,3R,4R)-5-chloro-4-hydroxy-8-methoxy-1-methyl-isochroman-3-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClO5
InChI InChI=1S/C14H17ClO5/c1-7-12-9(18-2)5-4-8(15)13(12)14(17)10(20-7)6-11(16)19-3/h4-5,7,10,14,17H,6H2,1-3H3/t7-,10+,14-/m0/s1
InChIKey AEJHLISAHIRDMA-WLGBHJCYSA-N
Molecular Weight 300.738 g/mol
SMILES O[C@]1([C@](O[C@](c2c1c(ccc2OC)Cl)(C)[H])(CC(=O)OC)[H])[H]
SPLASH splash10-0002-0950000000-ec200e91eb77f9e00fec
Source of Spectrum KC-0-3955-38
Wiley ID 827107