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Benzoic acid, 1,3,3-trimethyl-2-oxa-bicyclo[2.2.2]oct-6-yl ester
SpectraBase Compound ID 2Xi1aajXvWP
InChI InChI=1S/C10H18O.C7H6O2/c1-9(2)8-4-6-10(3,11-9)7-5-8;8-7(9)6-4-2-1-3-5-6/h8H,4-7H2,1-3H3;1-5H,(H,8,9)/t8-,10+;
InChIKey NMWSGTMXBFRAIK-OFAZAQPOSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtffniHlyRM
Name BENZOIC ACID, 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCT-6-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C10H18O.C7H6O2/c1-9(2)8-4-6-10(3,11-9)7-5-8;8-7(9)6-4-2-1-3-5-6/h8H,4-7H2,1-3H3;1-5H,(H,8,9)/t8-,10+;
InChIKey NMWSGTMXBFRAIK-OFAZAQPOSA-N
Molecular Weight 276.1719
SMILES OC(c1ccccc1)=O.C1[C@]2(C)OC(C)(C)[C@](C1)(CC2)[H]
SPLASH splash10-0a6u-9700000000-868e1239ecde921dca79
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany