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(1-Methoxycarbonylmethyl-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

View entire compound with spectra: 1 MS (GC)

(1-Methoxycarbonylmethyl-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
SpectraBase Compound ID I9xd64Wzxrz
InChI InChI=1S/C18H21NO5/c1-3-11-5-4-6-12-13-7-8-24-18(9-14(20)21,10-15(22)23-2)17(13)19-16(11)12/h4-6,19H,3,7-10H2,1-2H3,(H,20,21)
InChIKey JJKOFRVQSVTNOF-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHnlIUGO62z
Name (1-Methoxycarbonylmethyl-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
Alternate Name(s) [8-ethyl-1-(2-methoxy-2-oxoethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-3-11-5-4-6-12-13-7-8-24-18(9-14(20)21,10-15(22)23-2)17(13)19-16(11)12/h4-6,19H,3,7-10H2,1-2H3,(H,20,21)
InChIKey JJKOFRVQSVTNOF-UHFFFAOYSA-N
Molecular Weight 331.368 g/mol
SMILES [nH]1c2c(cccc2c2c1C(CC(=O)O)(OCC2)CC(=O)OC)CC
SPLASH splash10-0089-0609000000-5b73c1e8ea2b02dc0c30
Source of Spectrum O1-60-1106-12
Wiley ID 1592039