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exo-7-(Hydroxymethyl)-endo-7-carboxy-2-norcarene
SpectraBase Compound ID IF79ihrR9mr
InChI InChI=1S/C9H12O3/c10-5-9(8(11)12)6-3-1-2-4-7(6)9/h1,3,6-7,10H,2,4-5H2,(H,11,12)
InChIKey XAROWABHRAYENI-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2WXPj5rGCY
Name exo-7-(Hydroxymethyl)-endo-7-carboxy-2-norcarene
Alternate Name(s) 7-(hydroxymethyl)bicyclo[4.1.0]hept-2-ene-7-carboxylic acid
CAS Registry Number 68630-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-5-9(8(11)12)6-3-1-2-4-7(6)9/h1,3,6-7,10H,2,4-5H2,(H,11,12)
InChIKey XAROWABHRAYENI-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES OC(C1(CO)C2C=CCCC12)=O
SPLASH splash10-0kl0-8900000000-8bc818691307fa27c0bb
Source of Spectrum J-44-792-0
Wiley ID 1164329