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(1R*,5S*,8S*)-(+-)-8-(hydroxymethyl)-10-(methoxycarbonyl)tricyclo[6.2.1.0(1,5)]undec-9-ene-9-carboxylic acid
SpectraBase Compound ID 1uxsPlbkh9w
InChI InChI=1S/C15H20O5/c1-20-13(19)11-10(12(17)18)14(8-16)6-4-9-3-2-5-15(9,11)7-14/h9,16H,2-8H2,1H3,(H,17,18)/t9-,14+,15+/m0/s1
InChIKey MTKAOSYBQURWLE-TZTCFGBESA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Amfc5lx45M
Name (1R*,5S*,8S*)-(+-)-8-(hydroxymethyl)-10-(methoxycarbonyl)tricyclo[6.2.1.0(1,5)]undec-9-ene-9-carboxylic acid
Alternate Name(s) (1R,5S,8S)-8-(hydroxymethyl)-10-(methoxycarbonyl)tricyclo[6.2.1.0(1,5)]undec-9-ene-9-carboxylic acid
CAS Registry Number 120966-94-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-20-13(19)11-10(12(17)18)14(8-16)6-4-9-3-2-5-15(9,11)7-14/h9,16H,2-8H2,1H3,(H,17,18)/t9-,14+,15+/m0/s1
InChIKey MTKAOSYBQURWLE-TZTCFGBESA-N
Molecular Weight 280.320 g/mol
SMILES OC(C=1[C@@]2(CO)C[C@@]3(C1C(=O)OC)[C@](CC2)(CCC3)[H])=O
SPLASH splash10-001i-0090000000-0328f6e99881efdb7e8d
Source of Spectrum K-122-1972-1
Wiley ID 1283822