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

*Links on SpectraBase are not permalinks.
n-Propyl gallate
SpectraBase Compound ID BJjSQg9ghP
InChI InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
InChIKey ZTHYODDOHIVTJV-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 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 6MTPgMRE0E8
Name Benzoic acid, 3,4,5-trihydroxy-, propyl ester
CAS Registry Number 121-79-9
Classification Galloyl esters
Comments Generally Recognized as Safe; NTIS Accession Number: PB223840
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 212.068473481 u
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
InChIKey ZTHYODDOHIVTJV-UHFFFAOYSA-N
Molecular Weight 212.201 g/mol
Number of Peaks 188
SMILES Oc1c(c(cc(c1)C(OCCC)=O)O)O
SPLASH splash10-004i-9400000000-7f183531d5f20f0001ab
Source of Spectrum W5-17115-0-0
Synonyms Gallic acid, propyl ester 3,4,5-Trihydroxybenzene-1-propylcarboxylate 3,4,5-Trihydroxybenzoic acid n-propyl ester 3,4,5-trihydroxybenzoic acid propyl ester Gallic acid, n-propyl ester n-Propyl 3,4,5-trihydroxybenzoate n-Propyl ester of 3,4,5-trihydroxybenzoic acid n-Propyl gallate Nipa 49 Nipagallin P Nipanox S 1 Progallin P Propyl 3,4,5-trihydroxybenzoate Propyl 3,4,5-tris(oxidanyl)benzoate Propyl gallate Propyl gallate (nf) Propylester kyseliny gallove Tenox PG AI3-17136 CCRIS 541 EINECS 204-498-2 FEMA NO. 2947 HSDB 591 NCI-C50588 NCI-C505888 NSC 2626
Wiley ID 1210975