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Sinapoyl malate (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001041

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001041 contains the MS mass spectrum of Sinapoyl malate (NMR) with the InChIkey DUDGAPSRYCQPBG-UFFNRZRYSA-N.

Source: Sinapoyl malate (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C15H16O9/c1-22-9-5-8(6-10(23-2)14(9)19)3-4-13(18)24-11(15(20)21)7-12(16)17/h3-6,11,19H,7H2,1-2H3,(H,16,17)(H,20,21)/b4-3+/t11-/m0/s1
SMILES	C(OC1=C(C(=C(C(=C1O[H])OC([H])([H])[H])[H])/C(=C(/C(=O)O[C@@]([H])(C(C(=O)O[H])([H])[H])C(=O)O[H])\[H])/[H])[H])([H])([H])[H]
InChI Key	DUDGAPSRYCQPBG-UFFNRZRYSA-N
Molecular Formula	C15H16O9
Exact Mass	340.079 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	12a13eec-1d65-4624-b77f-6e9f0c07c639
Package id	msbnk-bs-bs001041
Resource type	HTML
State	active