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Bicyclo[2.2.1]hept-2-ene-7-acetic acid, 5-methyl-6-oxo-, (endo,anti)-(.+-.)-
SpectraBase Compound ID A3aeH7mPUgW
InChI InChI=1S/C10H12O3/c1-5-6-2-3-7(10(5)13)8(6)4-9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)/t5?,6-,7-,8?/m1/s1
InChIKey NWCLMXTUBWEALU-MIDKJMSJSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ahHoju8Omo
Name Bicyclo[2.2.1]hept-2-ene-7-acetic acid, 5-methyl-6-oxo-, (endo,anti)-(.+-.)-
CAS Registry Number 73611-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-5-6-2-3-7(10(5)13)8(6)4-9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)/t5?,6-,7-,8?/m1/s1
InChIKey NWCLMXTUBWEALU-MIDKJMSJSA-N
Molecular Weight 180.203 g/mol
SMILES OC(CC1[C@@]2(C(C(C)[C@]1(C=C2)[H])=O)[H])=O
SPLASH splash10-004i-9300000000-d631736ecd5cd69006ed
Source of Spectrum B-32-1980-0
Synonyms (1'RS,4'SR,7'RS)-2-(2'-oxobicyclo(2,2,1)hept-5'-en-7'-yl)acetic acid (5-methyl-6-oxobicyclo[2.2.1]hept-2-en-7-yl)acetic acid
Wiley ID 1176192